List of supported software

EasyBuild 4.7.0 supports 2906 different software packages (incl. toolchains, bundles):

A - B - C - D - E - F - G - H - I - J - K - L - M - N - O - P - Q - R - S - T - U - V - W - X - Y - Z

3

3to2

3to2

lib3to2 is a set of fixers that are intended to backport code written for Python version 3.x into Python version 2.x.

homepage: https://pypi.python.org/pypi/3to2

version	versionsuffix	toolchain
1.1.1	-Python-2.7.12	foss/2016b, intel/2016b
1.1.1	-Python-2.7.13	intel/2017a

4

4ti2

4ti2

A software package for algebraic, geometric and combinatorial problems on linear spaces

homepage: https://4ti2.github.io/

version	toolchain
1.6.9	GCC/8.2.0-2.31.1, intel/2018b

A

ABAQUS - ABINIT - ABRA2 - ABRicate - Abseil - abTEM - ABySS - ack - ACT - ACTC - ada - AdapterRemoval - ADDA - ADF - ADIOS - adjustText - ADMIXTURE - ADOL-C - Advisor - AFNI - AGAT - AGFusion - aiohttp - ALADIN - Albacore - Albumentations - alevin-fry - ALFA - Alfred - alleleCount - Allinea - ALLPATHS-LG - almosthere - Alpha - AlphaFold - ALPS - alsa-lib - AMAPVox - Amara - amask - Amber - AmberMini - AmberTools - AMD-LibM - AMD-RNG - AMD-SecureRNG - AMD-uProf - AMOS - AMPHORA2 - AMPL-MP - amplimap - AMPtk - AmrPlusPlus - AMS - Anaconda2 - Anaconda3 - aNCI - andi - ANGEL - angsd - ANIcalculator - Annif - annovar - ANSYS - ANSYS_CFD - ant - antiSMASH - ANTLR - ANTs - anvio - any2fasta - AOCC - AOMP - APBS - apex - APR - APR-util - AptaSUITE - ARAGORN - Arb - Arcade-Learning-Environment - arcasHLA - ARCH - Archive-Zip - ArchR - archspec - ARGoS - argtable - aria2 - Arlequin - Armadillo - arosics - ARPACK++ - arpack-ng - ArrayFire - Arriba - Arrow - arrow-R - ART - artic-ncov2019 - ARTS - ArviZ - ARWEN - ASAP - ASAP3 - ASE - ASHS - Aspera-CLI - Aspera-Connect - assimp - Assimulo - ASTRID - astropy - at-spi2-atk - at-spi2-core - ATK - ATLAS - atomate - AtomPAW - atools - atropos - ATSAS - attr - attrdict - attrdict3 - augur - AUGUSTUS - Austin - AUTO-07p - Autoconf - Autoconf-archive - AutoDock - AutoDock-GPU - AutoDock-Vina - AutoGeneS - AutoGrid - Automake - AutoMap - autopep8 - Autotools - Avogadro2 - awscli

ABAQUS

Finite Element Analysis software for modeling, visualization and best-in-class implicit and explicit dynamics FEA.

homepage: http://www.simulia.com/products/abaqus_fea.html

version	versionsuffix	toolchain
6.12.1	-linux-x86_64	system
6.13.5	-linux-x86_64	system
6.14.1	-linux-x86_64	system
2017	-hotfix-1721	system
2018	-hotfix-1806	system
2020		system
2021	-hotfix-2132	system
2022		system
2022	-hotfix-2214	system
2022	-hotfix-2223	system

ABINIT

ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory (DFT), using pseudopotentials and a planewave or wavelet basis.

homepage: https://www.abinit.org/

version	versionsuffix	toolchain
7.0.3	-x86_64_linux_gnu4.5	system
7.0.5	-x86_64_linux_gnu4.5	system
7.2.1	-x86_64_linux_gnu4.5	system
7.10.5		intel/2016.02-GCC-4.9
7.10.5	-libxc	intel/2016.02-GCC-4.9
8.0.8		intel/2016a
8.0.8b		foss/2016b, intel/2016b
8.2.2		foss/2016b, intel/2016b
8.4.4		intel/2017b
8.6.3		intel/2018a
8.10.2		intel/2018b
8.10.3		intel/2018b
9.2.1		intel/2020a
9.4.1		foss/2020b, intel/2020a, intel/2020b
9.4.2		foss/2021a, intel/2021a
9.6.2		foss/2022a, intel/2021a, intel/2021b, intel/2022a

ABRA2

Assembly Based ReAligner

homepage: https://github.com/mozack/abra2

version	toolchain
2.22	iccifort/2019.5.281
2.23	GCC/10.2.0, GCC/9.3.0

ABRicate

Mass screening of contigs for antimicrobial and virulence genes

homepage: https://github.com/tseemann/abricate

version	versionsuffix	toolchain
0.9.9		gompi/2019b
0.9.9	-Perl-5.28.1	gompi/2019a
1.0.0		gompi/2021a

Abseil

Abseil is an open-source collection of C++ library code designed to augment the C++ standard library. The Abseil library code is collected from Google’s own C++ code base, has been extensively tested and used in production, and is the same code we depend on in our daily coding lives.

homepage: https://abseil.io/

version	toolchain
20210324.2	GCCcore/11.2.0

abTEM

abTEM provides a Python API for running simulations of Transmission Electron Microscopy images.

homepage: https://github.com/jacobjma/abTEM

version	versionsuffix	toolchain
1.0.0b24	-ASE-3.22.0	fosscuda/2020b
1.0.0b26	-ASE-3.22.0	foss/2020b, fosscuda/2020b

ABySS

Assembly By Short Sequences - a de novo, parallel, paired-end sequence assembler

homepage: https://www.bcgsc.ca/platform/bioinfo/software/abyss

version	toolchain
1.9.0	foss/2016a
2.0.2	foss/2016b, foss/2018a, gompi/2019a, intel/2016b
2.0.3	foss/2017b, intel/2017b
2.1.5	foss/2019b
2.2.5	foss/2020b

ack

ack is a tool like grep, optimized for programmers

homepage: https://beyondgrep.com

version	toolchain
2.14	system
3.4.0	GCCcore/10.2.0
3.5.0	GCCcore/10.3.0

ACT

ACT is a Java application for displaying pairwise comparisons between two or more DNA sequences. It can be used to identify and analyse regions of similarity and difference between genomes and to explore conservation of synteny, in the context of the entire sequences and their annotation. It can read complete EMBL, GENBANK and GFF entries or sequences in FASTA or raw format.

homepage: https://sanger-pathogens.github.io/Artemis/ACT/

version	versionsuffix	toolchain
18.0.2	-Java-11	system
18.0.3	-Java-11	system

ACTC

ACTC converts independent triangles into triangle strips or fans.

homepage: https://sourceforge.net/projects/actc

version	toolchain
1.1	GCCcore/10.2.0, GCCcore/11.3.0, GCCcore/6.4.0, GCCcore/7.3.0, GCCcore/8.3.0, GCCcore/9.3.0, intel/2016b

ada

Performs discrete, real, and gentle boost under both exponential and logistic loss on a given data set.

homepage: https://cran.r-project.org/web/packages/ada/index.html

version	versionsuffix	toolchain
2.0-5	-R-3.4.0	intel/2017a

AdapterRemoval

AdapterRemoval searches for and removes remnant adapter sequences from High-Throughput Sequencing (HTS) data and (optionally) trims low quality bases from the 3’ end of reads following adapter removal.

homepage: https://github.com/MikkelSchubert/adapterremoval

version	toolchain
2.2.0	foss/2016b
2.2.2	foss/2018b
2.3.1	foss/2018b
2.3.2	GCC/10.2.0, GCC/10.3.0, GCC/11.2.0
2.3.3	GCC/11.3.0

ADDA

ADDA is an open-source parallel implementation of the discrete dipole approximation, capable to simulate light scattering by particles of arbitrary shape and composition in a wide range of particle sizes.

homepage: https://github.com/adda-team/adda/wiki

version	toolchain
1.3b4	foss/2019a

ADF

ADF is an accurate, parallelized, powerful computational chemistry program to understand and predict chemical structure and reactivity with density functional theory (DFT).

homepage: https://www.scm.com/ADF/

version	versionsuffix	toolchain
2009.01a.pc64_linux.intelmpi		system
2014.02		system
2014.11.r48287		intel/2016a
2016.101		system
2019.303	-intelmpi	system

ADIOS

The Adaptable IO System (ADIOS) provides a simple, flexible way for scientists to describe the data in their code that may need to be written, read, or processed outside of the running simulation.

homepage: https://www.olcf.ornl.gov/center-projects/adios/

version	versionsuffix	toolchain
1.13.1	-Python-2.7.15	foss/2019a
1.13.1	-Python-3.8.2	foss/2020a
20210804	-Python-3.8.2	foss/2020a

adjustText

A small library for automatically adjustment of text position in matplotlib plots to minimize overlaps.

homepage: https://github.com/Phlya/adjustText

version	versionsuffix	toolchain
0.7.3		foss/2021b
0.7.3	-Python-3.6.6	foss/2018b
0.7.3	-Python-3.7.2	intel/2019a

ADMIXTURE

ADMIXTURE is a software tool for maximum likelihood estimation of individual ancestries from multilocus SNP genotype datasets. It uses the same statistical model as STRUCTURE but calculates estimates much more rapidly using a fast numerical optimization algorithm.

homepage: https://dalexander.github.io/admixture/

version	toolchain
1.3.0	system

ADOL-C

The package ADOL-C (Automatic Differentiation by OverLoading in C++) facilitates the evaluation of first and higher derivatives of vector functions that are defined by computer programs written in C or C++. The resulting derivative evaluation routines may be called from C/C++, Fortran, or any other language that can be linked with C.

homepage: https://projects.coin-or.org/ADOL-C

version	toolchain
2.7.0	gompi/2019a
2.7.2	gompi/2020a

Advisor

Vectorization Optimization and Thread Prototyping - Vectorize & thread code or performance “dies” - Easy workflow + data + tips = faster code faster - Prioritize, Prototype & Predict performance gain

homepage: https://software.intel.com/intel-advisor-xe

version	toolchain
2016_update2	system
2017_update1	system
2018_update1	system
2018_update3	system
2019_update2	system
2019_update3	system
2019_update5	system
2021.2.0	system
2021.4.0	system
2022.1.0	system

AFNI

AFNI is a set of C programs for processing, analyzing, and displaying functional MRI (FMRI) data - a technique for mapping human brain activity.

homepage: http://afni.nimh.nih.gov/

version	versionsuffix	toolchain
18.1.09	-Python-3.6.4	intel/2018a
18.3.00	-Python-3.6.6	foss/2018b
19.0.01	-Python-2.7.14	foss/2017b, intel/2017b
20160329	-Python-2.7.11	intel/2016a

AGAT

AGAT: Another GTF/GFF Analysis Toolkit. Suite of tools to handle gene annotations in any GTF/GFF format.

homepage: https://agat.readthedocs.io/en/latest/

version	toolchain
0.9.2	GCC/11.2.0

AGFusion

AGFusion is a python package for annotating gene fusions from the human or mouse genomes.

homepage: https://github.com/murphycj/AGFusion

version	versionsuffix	toolchain
1.2	-Python-3.7.2	foss/2019a

aiohttp

Asynchronous HTTP client/server framework for asyncio and Python.

homepage: https://github.com/aio-libs/aiohttp

version	versionsuffix	toolchain
3.5.4	-Python-3.6.6	foss/2018b
3.8.1		GCCcore/10.3.0, GCCcore/11.2.0
3.8.3		GCCcore/11.3.0

ALADIN

ALADIN was entirely built on the notion of compatibility with its mother system, IFS/ARPEG. The latter, a joint development between the European Centre for Medium-Range Weather Forecasts (ECMWF) and Meteo-France, was only meant to consider global Numerical Weather Prediction applications; hence the idea, for ALADIN, to complement the IFS/ARPEGE project with a limited area model (LAM) version, while keeping the differences between the two softwares as small as possible.

homepage: http://www.cnrm.meteo.fr/aladin/

version	toolchain
36t1_op2bf1	intel/2016a

Albacore

Albacore is a software project that provides an entry point to the Oxford Nanopore basecalling algorithms.

homepage: https://community.nanoporetech.com/protocols/albacore-offline-basecalli/v/abec_2003_v1_revz_29nov2016

version	versionsuffix	toolchain
2.0.2	-Python-3.6.1	intel/2017a

Albumentations

Albumentations is a Python library for fast and flexible image augmentations

homepage: https://albumentations.ai

version	versionsuffix	toolchain
1.1.0		foss/2021b
1.1.0	-CUDA-11.3.1	foss/2021a
1.3.0		foss/2022a
1.3.0	-CUDA-11.7.0	foss/2022a

alevin-fry

alevin-fry is an efficient and flexible tool for processing single-cell sequencing data, currently focused on single-cell transcriptomics and feature barcoding.

homepage: https://github.com/COMBINE-lab/alevin-fry

version	toolchain
0.4.3	GCCcore/11.2.0
0.6.0	GCCcore/10.3.0

ALFA

ALFA provides a global overview of features distribution composing NGS dataset(s). Given a set of aligned reads (BAM files) and an annotation file (GTF format), the tool produces plots of the raw and normalized distributions of those reads among genomic categories (stop codon, 5’-UTR, CDS, intergenic, etc.) and biotypes (protein coding genes, miRNA, tRNA, etc.). Whatever the sequencing technique, whatever the organism.

homepage: https://github.com/biocompibens/ALFA

version	versionsuffix	toolchain
1.1.1	-Python-3.7.2	foss/2019a

Alfred

Alfred is an efficient and versatile command-line application that computes multi-sample quality control metrics in a read-group aware manner. Alfred supports read counting, feature annotation and haplotype-resolved consensus computation using multiple sequence alignments.

homepage: https://www.gear-genomics.com/alfred/

version	toolchain
0.2.6	GCC/11.2.0

alleleCount

The alleleCount package primarily exists to prevent code duplication between some other projects, specifically AscatNGS and Battenberg. As of v4 the perl code wraps the C implementation of allele counting code for BAM/CRAM processing.

homepage: http://cancerit.github.io/alleleCount/

version	toolchain
4.0.0	GCCcore/6.4.0

Allinea

The Allinea environment is an essential toolkit for developers and computational scientists looking to get results faster.

homepage: http://www.allinea.com

version	toolchain
4.1-32834-Redhat-5.7-x86_64	system
4.1-32834-Redhat-6.0-x86_64	system
6.1.1-Ubuntu-14.04-x86_64	system

ALLPATHS-LG

ALLPATHS-LG, the new short read genome assembler.

homepage: http://www.broadinstitute.org/software/allpaths-lg/blog/

version	toolchain
52488	foss/2016a

almosthere

Progress indicator C library. ATHR is a simple yet powerful progress indicator library that works on Windows, Linux, and macOS. It is non-blocking as the progress update is done via a dedicated, lightweight thread, as to not impair the performance of the calling program.

homepage: https://github.com/horta/almosthere

version	toolchain
1.0.1	GCCcore/7.3.0
1.0.10	GCCcore/9.3.0
2.0.2	GCCcore/10.2.0

Alpha

Alpha is a tool designed for detailed comparative study of bacteriophage genomes.

homepage: https://www.lirmm.fr/~swenson/alpha/alpha.htm

version	versionsuffix	toolchain
20200430	-Python-2.7.16	foss/2019b

AlphaFold

AlphaFold can predict protein structures with atomic accuracy even where no similar structure is known

homepage: https://deepmind.com/research/case-studies/alphafold

version	versionsuffix	toolchain
2.0.0		foss/2020b, fosscuda/2020b
2.0.1		foss/2020b, fosscuda/2020b
2.1.1		fosscuda/2020b
2.1.2		foss/2021a
2.1.2	-CUDA-11.3.1	foss/2021a
2.1.2	-TensorFlow-2.5.0	foss/2020b, fosscuda/2020b
2.2.2		foss/2021a
2.2.2	-CUDA-11.3.1	foss/2021a

ALPS

The ALPS project (Algorithms and Libraries for Physics Simulations) is an open source effort aiming at providing high-end simulation codes for strongly correlated quantum mechanical systems as well as C++ libraries for simplifying the development of such code.

homepage: http://alps.comp-phys.org/

version	versionsuffix	toolchain
2.2.b4	-Python-2.7.11	intel/2016a
2.3.0	-Python-2.7.12	foss/2016b
2.3.0	-Python-3.5.2	foss/2016b

alsa-lib

The Advanced Linux Sound Architecture (ALSA) provides audio and MIDI functionality to the Linux operating system.

homepage: https://www.alsa-project.org

version	toolchain
1.2.4	GCCcore/9.3.0
1.2.8	GCCcore/11.2.0, GCCcore/11.3.0

AMAPVox

LiDAR data voxelisation software

homepage: https://amap-dev.cirad.fr/projects/amapvox

version	versionsuffix	toolchain
1.9.4	-Java-11	system

Amara

Library for XML processing in Python, designed to balance the native idioms of Python with the native character of XML.

homepage: https://pypi.org/project/Amara

version	versionsuffix	toolchain
1.2.0.2	-Python-2.7.15	foss/2019a, intel/2019a

amask

amask is a set of tools to to determine the affinity of MPI processes and OpenMP threads in a parallel environment.

homepage: https://github.com/TACC/amask

version	toolchain
20171106	foss/2018a
20190404	foss/2018b

Amber

Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.

homepage: https://ambermd.org/amber.html

version	versionsuffix	toolchain
14	-AmberTools-15-patchlevel-13-13	intel/2016a
16	-AmberTools-16-patchlevel-5-14	iomkl/2016.07
16	-AmberTools-16-patchlevel-5-14-CUDA	iomkl/2016.09-GCC-4.9.3-2.25
16	-AmberTools-16-patchlevel-5-14-serial	iomkl/2016.07
16	-AmberTools-17-patchlevel-10-15	foss/2018b, fosscuda/2018b, intel/2018b
16	-AmberTools-17-patchlevel-10-15-Python-2.7.14	foss/2017b, fosscuda/2017b, intel/2017b, intelcuda/2017b
16	-AmberTools-17-patchlevel-8-12	intel/2017b
18	-AmberTools-18-patchlevel-10-8	foss/2018b, fosscuda/2018b, intel/2017b
18	-AmberTools-19-patchlevel-12-17-Python-2.7.16	foss/2019b, fosscuda/2019b
20.11	-AmberTools-20.15-Python-3.8.2	foss/2020a, fosscuda/2020a
20.11	-AmberTools-21.3	foss/2020b, fosscuda/2020b
22.0	-AmberTools-22.3	foss/2021b
22.0	-AmberTools-22.3-CUDA-11.4.1	foss/2021b

AmberMini

A stripped-down set of just antechamber, sqm, and tleap.

homepage: https://github.com/choderalab/ambermini

version	toolchain
16.16.0	intel/2017b, intel/2020a

AmberTools

AmberTools consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.

homepage: https://ambermd.org/

version	versionsuffix	toolchain
17		intel/2017b, intel/2018a
17	-Python-2.7.14	foss/2018a
20	-Python-3.8.2	intel/2020a
21		foss/2021a, intel/2021b
21.12		foss/2021b
22.3		foss/2021b

AMD-LibM

AMD LibM is a software library containing a collection of basic math functions optimized for x86-64 processor based machines.

homepage: https://developer.amd.com/amd-cpu-libraries/amd-math-library-libm/

version	toolchain
3.2.2	GCC/7.3.0-2.30
3.6.0-4	GCC/9.3.0

AMD-RNG

AMD Random Number Generator Library is a pseudorandom number generator library.

homepage: https://developer.amd.com/amd-cpu-libraries/rng-library/

version	toolchain
1.0	GCC/7.3.0-2.30
2.2-4	GCC/9.3.0

AMD-SecureRNG

The AMD Secure Random Number Generator (RNG) is a library that provides APIs to access the cryptographically secure random numbers generated by AMD’s hardware-based random number generator implementation.

homepage: https://developer.amd.com/amd-cpu-libraries/rng-library/

version	toolchain
1.0	GCC/7.3.0-2.30
2.2-4	GCC/9.3.0

AMD-uProf

AMD uProf is a performance analysis tool for applications running on Windows, Linux & FreeBSD operating systems. It allows developers to better understand the runtime performance of their application and to identify ways to improve its performance.

homepage: https://developer.amd.com/amd-uprof/

version	toolchain
3.4.502	system
3.5.671	system

AMOS

The AMOS consortium is committed to the development of open-source whole genome assembly software

homepage: http://amos.sourceforge.net

version	toolchain
3.1.0	foss/2018b, foss/2021b

AMPHORA2

An Automated Phylogenomic Inference Pipeline for Bacterial and Archaeal Sequences.

homepage: https://github.com/wu-lab-uva/AMPHORA2

version	versionsuffix	toolchain
20190730	-Java-13-pthreads-avx2	gompi/2020b

AMPL-MP

An open-source library for mathematical programming.

homepage: https://github.com/ampl/mp

version	toolchain
3.1.0	GCCcore/6.4.0

amplimap

amplimap is a command-line tool to automate the processing and analysis of data from targeted next-generation sequencing (NGS) experiments with PCR-based amplicons or capture-based enrichment systems.

homepage: https://amplimap.readthedocs.io/en/latest/

version	versionsuffix	toolchain
0.4.16	-Python-3.6.6	foss/2018b

AMPtk

AMPtk is a series of scripts to process NGS amplicon data using USEARCH and VSEARCH, it can also be used to process any NGS amplicon data and includes databases setup for analysis of fungal ITS, fungal LSU, bacterial 16S, and insect COI amplicons.

homepage: https://amptk.readthedocs.io

version	toolchain
1.5.4	foss/2021b

AmrPlusPlus

AmrPlusPlus v2.0 can process the raw data from the sequencer, identify the fragments of DNA, and count them. It also provides a count of the polymorphisms that occur in each DNA fragment with respect to the reference database.

homepage: https://megares.meglab.org/amrplusplus/latest/html/v2

version	toolchain
2.0-20200114	GCC/8.3.0

AMS

The Amsterdam Modeling Suite (AMS) provides a comprehensive set of modules for computational chemistry and materials science, from quantum mechanics to fluid thermodynamics.

homepage: https://www.scm.com/amsterdam-modeling-suite/

version	versionsuffix	toolchain
2020.102	-intelmpi	iimpi/2020b
2022.102	-intelmpi	iimpi/2021b

Anaconda2

Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open data science analytics architecture.

homepage: https://www.anaconda.com

version	toolchain
4.0.0	system
4.2.0	system
4.4.0	system
5.0.1	system
5.1.0	system
5.3.0	system
2018.12	system
2019.03	system
2019.07	system
2019.10	system

Anaconda3

Built to complement the rich, open source Python community, the Anaconda platform provides an enterprise-ready data analytics platform that empowers companies to adopt a modern open data science analytics architecture.

homepage: https://www.anaconda.com

version	toolchain
4.0.0	system
4.2.0	system
4.4.0	system
5.0.1	system
5.1.0	system
5.3.0	system
2018.12	system
2019.03	system
2019.07	system
2019.10	system
2020.02	system
2020.07	system
2020.11	system
2021.05	system
2021.11	system
2022.05	system

aNCI

Non-covalent interaction (NCI) for MD trajectories

homepage: https://www.lct.jussieu.fr/pagesperso/contrera/nci-MD.html

version	toolchain
2.0	iccifort/2019.5.281

andi

This is the andi program for estimating the evolutionary distance between closely related genomes. These distances can be used to rapidly infer phylogenies for big sets of genomes. Because andi does not compute full alignments, it is so efficient that it scales even up to thousands of bacterial genomes.

homepage: https://github.com/evolbioinf/andi/

version	toolchain
0.13	foss/2018b

ANGEL

ANGEL: Robust Open Reading Frame prediction

homepage: https://github.com/PacificBiosciences/ANGEL

version	versionsuffix	toolchain
3.0	-Python-3.7.2	foss/2019a

angsd

Program for analysing NGS data.

homepage: http://www.popgen.dk/angsd

version	toolchain
0.910	foss/2016a
0.921	foss/2018a
0.925	foss/2018b
0.933	GCC/8.3.0, iccifort/2019.5.281
0.935	GCC/10.2.0

ANIcalculator

This tool will calculate the bidirectional average nucleotide identity (gANI) and Alignment Fraction (AF) between two genomes. Required input is the full path to the fna file (nucleotide sequence of genes in fasta format) of each query genome. Either the rRNA and tRNA genes can be excluded, or provided in a list with the -ignoreList option. This is necessary as the presence of tRNA and/or rRNA genes in the fna will artificially inflate the ANI.

homepage: https://ani.jgi.doe.gov/html/home.php

version	toolchain
1.0	GCCcore/10.3.0

Annif

Annif is a multi-algorithm automated subject indexing tool for libraries, archives and museums.

homepage: https://github.com/NatLibFi/Annif

version	versionsuffix	toolchain
0.40.0	-Python-3.7.2	foss/2019a, intel/2019a

annovar

ANNOVAR is an efficient software tool to utilize update-to-date information to functionally annotate genetic variants detected from diverse genomes (including human genome hg18, hg19, hg38, as well as mouse, worm, fly, yeast and many others).

homepage: http://annovar.openbioinformatics.org/en/latest/

version	versionsuffix	toolchain
2016Feb01	-Perl-5.22.1	foss/2016a
20191024	-Perl-5.28.1	GCCcore/8.2.0
20200607	-Perl-5.34.0	GCCcore/11.2.0

ANSYS

ANSYS simulation software enables organizations to confidently predict how their products will operate in the real world. We believe that every product is a promise of something greater.

homepage: https://www.ansys.com

version	toolchain
15.0	system
2022R2	system

ANSYS_CFD

ANSYS computational fluid dynamics (CFD) simulation software allows you to predict, with confidence, the impact of fluid flows on your product throughout design and manufacturing as well as during end use. ANSYS renowned CFD analysis tools include the widely used and well-validated ANSYS Fluent and ANSYS CFX.

homepage: http://www.ansys.com/Products/Simulation+Technology/Fluid+Dynamics

version	toolchain
16.2	system
17.0	system

ant

Apache Ant is a Java library and command-line tool whose mission is to drive processes described in build files as targets and extension points dependent upon each other. The main known usage of Ant is the build of Java applications.

homepage: http://ant.apache.org/

version	versionsuffix	toolchain
1.8.4	-Java-1.7.0_10	system
1.8.4	-Java-1.7.0_21	system
1.9.0	-Java-1.7.0_15	system
1.9.0	-Java-1.7.0_21	system
1.9.3	-Java-1.7.0_60	system
1.9.3	-Java-1.7.0_79	system
1.9.6	-Java-1.7.0_75	system
1.9.6	-Java-1.7.0_79	system
1.9.6	-Java-1.7.0_80	system
1.9.6	-Java-1.8.0_66	system
1.9.6	-Java-1.8.0_72	system
1.9.6	-Java-1.8.0_77	system
1.9.7	-Java-1.8.0_92	system
1.10.0	-Java-1.8.0_112	system
1.10.1	-Java-1.8	system
1.10.1	-Java-1.8.0_121	system
1.10.1	-Java-1.8.0_144	system
1.10.1	-Java-1.8.0_152	system
1.10.1	-Java-1.8.0_162	system
1.10.5	-Java-1.8	system
1.10.6	-Java-1.8	system
1.10.7	-Java-11	system
1.10.8	-Java-11	system
1.10.9	-Java-11	system
1.10.11	-Java-11	system
1.10.11	-Java-13	system
1.10.12	-Java-11	system
1.10.12	-Java-17	system

antiSMASH

antiSMASH allows the rapid genome-wide identification, annotation and analysis of secondary metabolite biosynthesis gene clusters in bacterial and fungal genomes.

homepage: https://github.com/antismash/antismash

version	versionsuffix	toolchain
5.1.2	-Python-3.7.4	foss/2019b
5.2.0		foss/2020b
6.0.1		foss/2020b

ANTLR

ANTLR, ANother Tool for Language Recognition, (formerly PCCTS) is a language tool that provides a framework for constructing recognizers, compilers, and translators from grammatical descriptions containing Java, C#, C++, or Python actions.

homepage: http://www.antlr2.org/

version	versionsuffix	toolchain
2.7.7		GCCcore/7.3.0, GCCcore/8.2.0, foss/2017b, foss/2018b, foss/2019a, intel/2017b
2.7.7	-Java-11	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/8.3.0, GCCcore/9.3.0
2.7.7	-Python-2.7.11	foss/2016a
2.7.7	-Python-2.7.13	intel/2017a
2.7.7	-Python-2.7.14	foss/2018a, intel/2017b
2.7.7	-Python-3.6.4	intel/2018a

ANTs

ANTs extracts information from complex datasets that include imaging. ANTs is useful for managing, interpreting and visualizing multidimensional data.

homepage: https://stnava.github.io/ANTs/

version	versionsuffix	toolchain
2.2.0	-Python-2.7.12	foss/2016b
2.3.0	-Python-2.7.14	foss/2017b, intel/2017b
2.3.1	-Python-3.6.6	foss/2018b
2.3.2	-Python-3.7.4	foss/2019b
2.3.5		foss/2021a

anvio

An analysis and visualization platform for ‘omics data.

homepage: https://merenlab.org/software/anvio/

version	versionsuffix	toolchain
6.1	-Python-3.7.4	intel/2019b

any2fasta

Convert various sequence formats to FASTA

homepage: https://github.com/tseemann/any2fasta

version	versionsuffix	toolchain
0.4.2		GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/8.3.0, GCCcore/9.3.0
0.4.2	-Perl-5.28.1	GCCcore/8.2.0

AOCC

AMD Optimized C/C++ & Fortran compilers (AOCC) based on LLVM 13.0

homepage: https://developer.amd.com/amd-aocc/

version	toolchain
2.3.0	GCCcore/10.2.0, GCCcore/9.3.0
3.0.0	GCCcore/10.2.0, GCCcore/10.3.0
3.1.0	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0
3.2.0	GCCcore/11.2.0, GCCcore/11.3.0
4.0.0	GCCcore/11.3.0, GCCcore/12.2.0

AOMP

AMD fork of LLVM, setup for OpenMP offloading to Accelerators

homepage: https://github.com/ROCm-Developer-Tools/aomp

version	toolchain
13.0-2	GCCcore/10.2.0, gcccuda/2020a

APBS

APBS is a software package for modeling biomolecular solvation through solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media.

homepage: http://www.poissonboltzmann.org/apbs

version	versionsuffix	toolchain
1.4	-linux-static-x86_64	system

apex

A PyTorch Extension: Tools for easy mixed precision and distributed training in Pytorch

homepage: https://github.com/nvidia/apex

version	versionsuffix	toolchain
20200325	-Python-3.7.4	fosscuda/2019b
20210420		fosscuda/2020b

APR

Apache Portable Runtime (APR) libraries.

homepage: https://apr.apache.org/

version	toolchain
1.6.3	GCCcore/6.4.0, GCCcore/7.3.0, iomkl/2018a
1.7.0	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/8.2.0, GCCcore/9.3.0

APR-util

Apache Portable Runtime (APR) util libraries.

homepage: http://apr.apache.org/

version	toolchain
1.6.1	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/6.4.0, GCCcore/7.3.0, GCCcore/8.2.0, GCCcore/9.3.0, iomkl/2018a

AptaSUITE

A full-featured bioinformatics software collection for the comprehensive analysis of aptamers in HT-SELEX experiments

homepage: https://drivenbyentropy.github.io/

version	versionsuffix	toolchain
0.9.4	-Java-11	system

ARAGORN

a program to detect tRNA genes and tmRNA genes in nucleotide sequences

homepage: http://www.ansikte.se/ARAGORN/

version	toolchain
1.2.38	foss/2016b, iccifort/2019.5.281
1.2.41	foss/2021b

Arb

Arb is a C library for arbitrary-precision interval arithmetic. It has full support for both real and complex numbers. The library is thread-safe, portable, and extensively tested.

homepage: https://arblib.org/

version	toolchain
2.16.0	GCC/7.3.0-2.30, GCC/8.2.0-2.31.1, iccifort/2018.3.222-GCC-7.3.0-2.30
2.17.0	GCC/8.3.0
2.19.0	GCC/10.3.0
2.22.1	GCC/11.2.0

Arcade-Learning-Environment

The Arcade Learning Environment (ALE) is a simple framework that allows researchers and hobbyists to develop AI agents for Atari 2600 games. It is built on top of the Atari 2600 emulator Stella and separates the details of emulation from agent design. This video depicts over 50 games currently supported in the ALE.

homepage: https://github.com/mgbellemare/Arcade-Learning-Environment

version	toolchain
0.7.3	foss/2021b

arcasHLA

arcasHLA performs high resolution genotyping for HLA class I and class II genes from RNA sequencing, supporting both paired and single-end samples.

homepage: https://github.com/RabadanLab/arcasHLA

version	versionsuffix	toolchain
0.2.0	-Python-3.7.4	foss/2019b

ARCH

Autoregressive Conditional Heteroskedasticity (ARCH) and other tools for financial econometrics, written in Python (with Cython and/or Numba used to improve performance).

homepage: https://pypi.org/project/arch

version	versionsuffix	toolchain
4.5.0	-Python-3.6.4	intel/2018a

Archive-Zip

Provide an interface to ZIP archive files.

homepage: https://metacpan.org/pod/Archive::Zip

version	toolchain
1.68	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0

ArchR

ArchR is a full-featured R package for processing and analyzing single-cell ATAC-seq data.

homepage: https://www.archrproject.com

version	versionsuffix	toolchain
1.0.1	-R-4.1.2	foss/2021b

archspec

A library for detecting, labeling, and reasoning about microarchitectures

homepage: https://github.com/archspec/archspec

version	versionsuffix	toolchain
0.1.0	-Python-3.7.4	GCCcore/8.3.0
0.1.0	-Python-3.8.2	GCCcore/9.3.0
0.1.2		GCCcore/10.2.0, GCCcore/10.3.0
0.1.3		GCCcore/11.2.0
0.1.4		GCCcore/11.3.0

ARGoS

A parallel, multi-engine simulator for heterogeneous swarm robotics

homepage: http://www.argos-sim.info

version	versionsuffix	toolchain
3.0.0-beta53	-Lua-5.2.4	foss/2018b
3.0.0-beta59		GCC/11.2.0

argtable

Argtable is an ANSI C library for parsing GNU style command line options with a minimum of fuss.

homepage: http://argtable.sourceforge.net/

version	toolchain
2.13	GCCcore/10.3.0, GCCcore/8.2.0, GCCcore/8.3.0, foss/2016b, foss/2018b, intel/2018a, intel/2018b

aria2

aria2 is a lightweight multi-protocol & multi-source command-line download utility.

homepage: https://aria2.github.io

version	toolchain
1.35.0	GCCcore/10.3.0
1.36.0	GCCcore/11.3.0

Arlequin

Arlequin: An Integrated Software for Population Genetics Data Analysis

homepage: http://cmpg.unibe.ch/software/arlequin35/Arlequin35.html

version	toolchain
3.5.2.2	foss/2019b

Armadillo

Armadillo is an open-source C++ linear algebra library (matrix maths) aiming towards a good balance between speed and ease of use. Integer, floating point and complex numbers are supported, as well as a subset of trigonometric and statistics functions.

homepage: https://arma.sourceforge.net/

version	versionsuffix	toolchain
7.600.2	-Python-2.7.12	foss/2016b
7.800.0	-Python-2.7.12	intel/2016b
7.950.1	-Python-2.7.12	intel/2016b
8.300.1		foss/2017b, intel/2017b
8.400.0		foss/2018a
9.600.5		foss/2018b
9.700.2		foss/2019a
9.880.1		foss/2020a
9.900.1		foss/2019b, foss/2020a
10.5.3		foss/2020b
10.7.5		foss/2021a

arosics

AROSICS is a python package to perform automatic subpixel co-registration of two satellite image datasets based on an image matching approach working in the frequency domain, combined with a multistage workflow for effective detection of false-positives.

homepage: https://github.com/GFZ/arosics

version	toolchain
1.7.6	foss/2021a

ARPACK++

Arpackpp is a C++ interface to the ARPACK Fortran package, which implements the implicit restarted Arnoldi method for iteratively solving large-scale sparse eigenvalue problems.

homepage: https://github.com/m-reuter/arpackpp

version	toolchain
2018.03.26	foss/2017b

arpack-ng

ARPACK is a collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.

homepage: https://github.com/opencollab/arpack-ng

version	toolchain
3.3.0	foss/2016a, intel/2016a
3.4.0	foss/2016b, foss/2017a, intel/2016b, intel/2017a
3.5.0	foss/2017b, foss/2018a, foss/2018b, intel/2017a, intel/2017b
3.6.2	intel/2018a
3.7.0	foss/2019a, foss/2019b, foss/2020a, intel/2019b, intel/2020a
3.8.0	foss/2020b, foss/2021a, foss/2021b, foss/2022a

ArrayFire

ArrayFire is a general-purpose library that simplifies the process of developing software that targets parallel and massively-parallel architectures including CPUs, GPUs, and other hardware acceleration devices.

homepage: https://arrayfire.com/

version	versionsuffix	toolchain
3.6.4		foss/2018b
3.6.4	-CUDA-9.2.88	foss/2018b

Arriba

Arriba is a command-line tool for the detection of gene fusions from RNA-Seq data. It was developed for the use in a clinical research setting. Therefore, short runtimes and high sensitivity were important design criteria.

homepage: https://github.com/suhrig/arriba

version	toolchain
1.1.0	foss/2018b
2.1.0	GCC/10.2.0, GCC/10.3.0
2.2.1	GCC/11.2.0
2.3.0	GCC/11.2.0

Arrow

Apache Arrow (incl. PyArrow Python bindings), a cross-language development platform for in-memory data.

homepage: https://arrow.apache.org

version	versionsuffix	toolchain
0.7.1	-Python-3.6.3	intel/2017b
0.12.0	-Python-2.7.15	foss/2018b, intel/2018b
0.12.0	-Python-3.6.6	intel/2018b
0.16.0	-Python-3.7.4	foss/2019b, intel/2019b
0.17.1		foss/2020b, fosscuda/2020b, intel/2020b
0.17.1	-Python-3.8.2	foss/2020a, intel/2020a
6.0.0		foss/2021a, foss/2021b
6.0.1		foss/2021a
8.0.0		foss/2022.05, foss/2022a

arrow-R

R interface to the Apache Arrow C++ library

homepage: https://cran.r-project.org/web/packages/arrow

version	versionsuffix	toolchain
0.17.1	-R-4.0.0	foss/2020a
6.0.0.2	-R-4.1.0	foss/2021a
6.0.0.2	-R-4.1.2	foss/2021b
6.0.0.2	-R-4.2.0	foss/2021b
8.0.0	-R-4.2.1	foss/2022a

ART

ART is a set of simulation tools to generate synthetic next-generation sequencing reads

homepage: http://www.niehs.nih.gov/research/resources/software/biostatistics/art/

version	toolchain
2016.06.05	GCCcore/6.4.0, intel/2016b

artic-ncov2019

Initial implementation of an ARTIC bioinformatics platform for nanopore sequencing of nCoV2019 novel coronavirus.

homepage: https://github.com/artic-network/artic-ncov2019

version	versionsuffix	toolchain
2020.04.13	-Python-3.6.6	foss/2018b
2021.06.24		foss/2020b

ARTS

ARTS is a radiative transfer model for the millimeter and sub-millimeter spectral range. There are a number of models mostly developed explicitly for the different sensors.

homepage: http://www.radiativetransfer.org/

version	toolchain
2.2.64	gompi/2019a

ArviZ

Exploratory analysis of Bayesian models with Python

homepage: https://github.com/arviz-devs/arviz

version	versionsuffix	toolchain
0.7.0	-Python-3.7.4	foss/2019b, intel/2019b
0.11.1		intel/2020b
0.11.4		foss/2021b, intel/2021b
0.12.1		foss/2022a, intel/2022a

ARWEN

ARWEN, tRNA detection in metazoan mitochondrial sequences

homepage: http://mbio-serv2.mbioekol.lu.se/ARWEN

version	toolchain
1.2.3	GCCcore/7.3.0

ASAP

ASAP focuses on fast and fluid image viewing with an easy-to-use interface for making annotations. It consists of two main components: an IO library for reading and writing multi-resolution images and a viewer component for visualizing such images.

homepage: https://computationalpathologygroup.github.io/ASAP/

version	versionsuffix	toolchain
2.0	-CUDA-11.3.1	foss/2021a
2.1		foss/2022a

ASAP3

ASAP is a calculator for doing large-scale classical molecular dynamics within the Campos Atomic Simulation Environment (ASE).

homepage: https://wiki.fysik.dtu.dk/asap/

version	versionsuffix	toolchain
3.10.7	-Python-3.5.2	foss/2016b
3.10.7	-Python-3.6.2	foss/2017b
3.10.8	-Python-3.5.2	foss/2016b
3.10.8	-Python-3.6.2	foss/2017b
3.10.8	-Python-3.6.3	foss/2017b
3.10.10	-Python-3.6.6	foss/2018b, intel/2018b, iomkl/2018b
3.11.10	-Python-3.7.2	foss/2019a, intel/2019a
3.12.2	-ASE-3.21.1	foss/2020b, intel/2020b
3.12.7	-ASE-3.21.1	foss/2020b, intel/2020b

ASE

ASE is a python package providing an open source Atomic Simulation Environment in the Python scripting language.

homepage: https://wiki.fysik.dtu.dk/ase/

version	versionsuffix	toolchain
3.9.1.4567	-Python-2.7.11	intel/2016a
3.10.0	-Python-2.7.11	intel/2016.02-GCC-4.9
3.11.0	-Python-2.7.12	intel/2016b
3.13.0	-Python-2.7.12	foss/2016b
3.13.0	-Python-2.7.13	intel/2017a
3.15.0	-Python-2.7.12	foss/2016b
3.15.0	-Python-2.7.14	intel/2017b
3.15.0	-Python-3.5.2	foss/2016b
3.15.0	-Python-3.6.2	foss/2017b
3.15.0	-Python-3.6.3	foss/2017b
3.16.2	-Python-3.6.4	iomkl/2018.02, iomkl/2018a
3.16.2	-Python-3.6.6	foss/2018b, intel/2018b, iomkl/2018b
3.17.0	-Python-3.6.6	foss/2018b, intel/2018b, iomkl/2018b
3.17.0	-Python-3.7.2	foss/2019a, intel/2019a
3.18.0	-Python-3.6.6	foss/2018b, intel/2018b
3.18.0	-Python-3.7.2	foss/2019a, intel/2019a
3.19.0	-Python-3.6.6	foss/2018b, intel/2018b
3.19.0	-Python-3.7.4	foss/2019b, fosscuda/2019b, intel/2019b
3.19.0	-Python-3.8.2	foss/2020a, intel/2020a
3.20.1		foss/2020b, fosscuda/2020b, intel/2020b
3.20.1	-Python-3.7.4	foss/2019b, intel/2019b
3.20.1	-Python-3.8.2	intel/2020a
3.21.1		foss/2020b, fosscuda/2020b, intel/2020b
3.21.1	-Python-3.8.2	foss/2020a
3.22.0		foss/2020b, foss/2021a, fosscuda/2020b, intel/2020b, intel/2021a
3.22.1		foss/2021b, foss/2022a, intel/2021b, intel/2022a

ASHS

Automatic Segmentation of Hippocampal Subfields (ASHS)

homepage: https://sites.google.com/site/hipposubfields/home

version	toolchain
rev103_20140612	system

Aspera-CLI

IBM Aspera Command-Line Interface (the Aspera CLI) is a collection of Aspera tools for performing high-speed, secure data transfers from the command line. The Aspera CLI is for users and organizations who want to automate their transfer workflows.

homepage: https://asperasoft.com

version	versionsuffix	toolchain
3.7.2	.354.010c3b8	system
3.9.0	.1326.6985b21	system
3.9.6	.1467.159c5b1	system

Aspera-Connect

Connect is an install-on-demand Web browser plug-in that facilitates high-speed uploads and downloads with an Aspera transfer server.

homepage: http://downloads.asperasoft.com/connect2/

version	toolchain
3.6.1	system
3.9.6	system

assimp

Open Asset Import Library (assimp) is a library to import and export various 3d-model-formats including scene-post-processing to generate missing render data.

homepage: https://github.com/assimp/assimp

version	toolchain
5.0.1	GCCcore/8.3.0

Assimulo

Assimulo is a simulation package for solving ordinary differential equations.

homepage: https://jmodelica.org/assimulo/

version	versionsuffix	toolchain
2.9	-Python-2.7.15	intel/2018b

ASTRID

ASTRID-2 is a method for estimating species trees from gene trees.

homepage: https://github.com/pranjalv123/ASTRID

version	toolchain
2.2.1	gompi/2019a

astropy

The Astropy Project is a community effort to develop a common core package for Astronomy in Python and foster an ecosystem of interoperable astronomy packages. The Astropy community is committed to supporting diversity and inclusion.

homepage: https://www.astropy.org/

version	versionsuffix	toolchain
2.0.12	-Python-2.7.15	foss/2018b, intel/2018b
2.0.14		foss/2019a
4.0.1	-Python-3.7.4	foss/2019b
4.0.1	-Python-3.8.2	foss/2020a, intel/2020a
4.2.1		intelcuda/2020b
4.3.1		foss/2021a, foss/2021b, intel/2021a
5.0.4		foss/2021a
5.1.1		foss/2022a

at-spi2-atk

AT-SPI 2 toolkit bridge

homepage: https://wiki.gnome.org/Accessibility

version	toolchain
2.26.3	fosscuda/2018b
2.32.0	GCCcore/8.2.0
2.34.1	GCCcore/8.3.0
2.34.2	GCCcore/9.3.0
2.38.0	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/12.2.0

at-spi2-core

Assistive Technology Service Provider Interface.

homepage: https://wiki.gnome.org/Accessibility

version	toolchain
2.26.3	fosscuda/2018b
2.32.0	GCCcore/8.2.0
2.34.0	GCCcore/8.3.0
2.36.0	GCCcore/9.3.0
2.38.0	GCCcore/10.2.0
2.40.2	GCCcore/10.3.0
2.40.3	GCCcore/11.2.0
2.44.1	GCCcore/11.3.0
2.46.0	GCCcore/12.2.0

ATK

ATK provides the set of accessibility interfaces that are implemented by other toolkits and applications. Using the ATK interfaces, accessibility tools have full access to view and control running applications.

homepage: https://developer.gnome.org/atk/

version	toolchain
2.18.0	intel/2016a
2.20.0	foss/2016a, intel/2016a
2.22.0	foss/2016b, intel/2016b
2.26.0	intel/2017a
2.26.1	foss/2018b, intel/2017b
2.27.1	foss/2017b, intel/2017b
2.28.1	foss/2018a, foss/2018b, fosscuda/2018b, intel/2018a
2.32.0	GCCcore/8.2.0
2.34.1	GCCcore/8.3.0
2.36.0	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/9.3.0
2.38.0	GCCcore/11.3.0, GCCcore/12.2.0

ATLAS

ATLAS (Automatically Tuned Linear Algebra Software) is the application of the AEOS (Automated Empirical Optimization of Software) paradigm, with the present emphasis on the Basic Linear Algebra Subprograms (BLAS), a widely used, performance-critical, linear algebra kernel library.

homepage: http://math-atlas.sourceforge.net

version	versionsuffix	toolchain
3.10.2	-LAPACK-3.6.1	GCC/5.4.0-2.26

atomate

atomate has implementations of FireWorks workflows for Materials Science.

homepage: https://pythonhosted.org/atomate/

version	versionsuffix	toolchain
0.4.4	-Python-2.7.13	intel/2017a

AtomPAW

AtomPAW is a Projector-Augmented Wave Dataset Generator that can be used both as a standalone program and a library.

homepage: http://users.wfu.edu/natalie/papers/pwpaw/man.html

version	toolchain
4.1.0.5	intel/2018b
4.1.0.6	intel/2018b

atools

Tools to make using job arrays a lot more convenient.

homepage: https://github.com/gjbex/atools

version	versionsuffix	toolchain
1.4.2	-Python-2.7.12	intel/2016b
1.4.6	-Python-2.7.16	GCCcore/8.3.0
1.4.8	-Python-2.7.18	GCCcore/10.3.0, GCCcore/11.2.0
1.5.1		GCCcore/11.2.0

atropos

Atropos is tool for specific, sensitive, and speedy trimming of NGS reads.

homepage: https://atropos.readthedocs.io

version	versionsuffix	toolchain
1.1.21	-Python-3.6.6	intel/2018b

ATSAS

ATSAS is a program suite for small-angle scattering data analysis from biological macromolecules.

homepage: http://www.embl-hamburg.de/ExternalInfo/Research/Sax/software.html

version	versionsuffix	toolchain
2.5.1-1	.el6.x86_64	system
2.5.1-1	.sl5.x86_64	system
2.7.1-1	.el7.x86_64	system

attr

Commands for Manipulating Filesystem Extended Attributes

homepage: https://savannah.nongnu.org/projects/attr

version	toolchain
2.4.47	GCCcore/8.2.0
2.4.48	GCCcore/9.3.0
2.5.1	GCCcore/10.3.0, GCCcore/11.2.0

attrdict

AttrDict is a Python library that provides mapping objects that allow their elements to be accessed both as keys and as attributes.

homepage: https://github.com/bcj/AttrDict

version	versionsuffix	toolchain
2.0.1	-Python-3.7.4	GCCcore/8.3.0

attrdict3

AttrDict is a Python library that provides mapping objects that allow their elements to be accessed both as keys and as attributes.

homepage: https://github.com/pirofti/AttrDict3

version	toolchain
2.0.2	GCCcore/11.2.0

augur

Pipeline components for real-time phylodynamic analysis

homepage: https://github.com/nextstrain/augur

version	versionsuffix	toolchain
7.0.2	-Python-3.7.4	intel/2019b

AUGUSTUS

AUGUSTUS is a program that predicts genes in eukaryotic genomic sequences

homepage: https://bioinf.uni-greifswald.de/augustus/

version	versionsuffix	toolchain
3.2.3	-Python-2.7.13	intel/2017a
3.3		foss/2018a
3.3.2		intel/2019a
3.3.2	-Python-2.7.13	intel/2017a
3.3.2	-Python-2.7.14	foss/2017b, intel/2017b
3.3.2	-Python-2.7.15	intel/2018b
3.3.3		foss/2019b, intel/2019b
3.4.0		foss/2020a, foss/2020b, foss/2021a, foss/2021b

Austin

Austin is a Python frame stack sampler for CPython written in pure C.

homepage: https://github.com/P403n1x87/austin

version	toolchain
3.2.0	GCCcore/11.2.0, system

AUTO-07p

AUTO is a publicly available software for continuation and bifurcation problems in ordinary differential equations originally written in 1980 and widely used in the dynamical systems community.

homepage: https://github.com/auto-07p

version	toolchain
0.9.3	foss/2021a

Autoconf

Autoconf is an extensible package of M4 macros that produce shell scripts to automatically configure software source code packages. These scripts can adapt the packages to many kinds of UNIX-like systems without manual user intervention. Autoconf creates a configuration script for a package from a template file that lists the operating system features that the package can use, in the form of M4 macro calls.

homepage: https://www.gnu.org/software/autoconf/

version	toolchain
2.68	foss/2016b
2.69	GCC/4.8.2, GCC/4.8.4, GCC/4.9.2, GCC/4.9.3, GCC/4.9.3-2.25, GCC/5.2.0, GCC/5.4.0-2.26, GCCcore/10.2.0, GCCcore/4.9.2, GCCcore/4.9.3, GCCcore/5.3.0, GCCcore/5.4.0, GCCcore/6.1.0, GCCcore/6.2.0, GCCcore/6.3.0, GCCcore/6.4.0, GCCcore/7.2.0, GCCcore/7.3.0, GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.2.0, GCCcore/9.3.0, GNU/4.9.2-2.25, GNU/4.9.3-2.25, GNU/5.1.0-2.25, foss/2016.04, foss/2016a, foss/2016b, gimkl/2.11.5, intel/2016.02-GCC-4.9, intel/2016a, intel/2016b, iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25, system
2.71	FCC/4.5.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/12.2.0, system

Autoconf-archive

The GNU Autoconf Archive is a collection of more than 500 macros for GNU Autoconf that have been contributed as free software by friendly supporters of the cause from all over the Internet. Every single one of those macros can be re-used without imposing any restrictions whatsoever on the licensing of the generated configure script. In particular, it is possible to use all those macros in configure scripts that are meant for non-free software. This policy is unusual for a Free Software Foundation project. The FSF firmly believes that software ought to be free, and software licenses like the GPL are specifically designed to ensure that derivative work based on free software must be free as well. In case of Autoconf, however, an exception has been made, because Autoconf is at such a pivotal position in the software development tool chain that the benefits from having this tool available as widely as possible outweigh the disadvantage that some authors may choose to use it, too, for proprietary software.

homepage: https://www.gnu.org/software/autoconf-archive

version	toolchain
2019.01.06	GCC/8.2.0-2.31.1
2021.02.19	GCCcore/10.2.0

AutoDock

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

homepage: http://autodock.scripps.edu/

version	toolchain
4.2.5.1	GCC/5.2.0
4.2.6	GCC/10.3.0

AutoDock-GPU

OpenCL and Cuda accelerated version of AutoDock. It leverages its embarrasingly parallelizable LGA by processing ligand-receptor poses in parallel over multiple compute units. AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

homepage: https://github.com/ccsb-scripps/AutoDock-GPU

version	versionsuffix	toolchain
1.5.3	-CUDA-11.3.1	GCC/10.3.0

AutoDock-Vina

AutoDock Vina is an open-source program for doing molecular docking.

homepage: https://vina.scripps.edu/

version	versionsuffix	toolchain
1.1.2	-linux_x86	system
1.2.3		foss/2021a, foss/2021b

AutoGeneS

AutoGeneS automatically extracts informative genes and reveals the cellular heterogeneity of bulk RNA samples.

homepage: https://github.com/theislab/AutoGeneS

version	toolchain
1.0.4	foss/2020b

AutoGrid

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.

homepage: http://autodock.scripps.edu/

version	toolchain
4.2.5.1	GCC/5.2.0

Automake

Automake: GNU Standards-compliant Makefile generator

homepage: https://www.gnu.org/software/automake/automake.html

version	toolchain
1.11.3	foss/2016b
1.14	GCC/4.8.2, intel/2016a
1.14.1	GCC/4.8.2
1.15	GCC/4.8.4, GCC/4.9.2, GCC/4.9.3, GCC/4.9.3-2.25, GCC/5.2.0, GCC/5.4.0-2.26, GCCcore/4.9.2, GCCcore/4.9.3, GCCcore/5.3.0, GCCcore/5.4.0, GCCcore/6.1.0, GCCcore/6.2.0, GCCcore/6.3.0, GNU/4.9.2-2.25, GNU/4.9.3-2.25, GNU/5.1.0-2.25, foss/2016.04, foss/2016a, foss/2016b, gimkl/2.11.5, intel/2016.02-GCC-4.9, intel/2016a, intel/2016b, iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25, system
1.15.1	GCCcore/6.4.0, GCCcore/7.2.0, GCCcore/7.3.0, GCCcore/8.3.0
1.16.1	GCCcore/6.4.0, GCCcore/7.3.0, GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.2.0, GCCcore/9.3.0
1.16.2	GCCcore/10.2.0
1.16.3	FCC/4.5.0, GCCcore/10.3.0
1.16.4	GCCcore/11.2.0
1.16.5	GCCcore/11.3.0, GCCcore/12.2.0, system

AutoMap

Tool to find regions of homozygosity (ROHs) from sequencing data.

homepage: https://github.com/mquinodo/AutoMap

version	versionsuffix	toolchain
1.0	-20200324	foss/2019b

autopep8

A tool that automatically formats Python code to conform to the PEP 8 style guide.

homepage: https://github.com/hhatto/autopep8

version	versionsuffix	toolchain
1.4.4	-Python-3.6.4	intel/2018a

Autotools

This bundle collect the standard GNU build tools: Autoconf, Automake and libtool

homepage: https://autotools.io

version	toolchain
20150119	GCC/4.9.2
20150215	GCC/4.8.4, GCC/4.9.2, GCC/4.9.3, GCC/4.9.3-2.25, GCC/5.2.0, GCC/5.4.0-2.26, GCCcore/4.9.2, GCCcore/4.9.3, GCCcore/5.3.0, GCCcore/5.4.0, GCCcore/6.1.0, GCCcore/6.2.0, GCCcore/6.3.0, GNU/4.9.2-2.25, GNU/4.9.3-2.25, GNU/5.1.0-2.25, foss/2016.04, foss/2016a, foss/2016b, gimkl/2.11.5, gimkl/2017a, intel/2016.02-GCC-4.9, intel/2016a, intel/2016b, iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25, system
20170619	GCCcore/6.4.0, GCCcore/7.2.0
20180311	GCCcore/7.3.0, GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.2.0, GCCcore/9.3.0
20200321	GCCcore/10.2.0
20210128	FCC/4.5.0, GCCcore/10.3.0
20210726	GCCcore/11.2.0
20220317	GCCcore/11.3.0, GCCcore/12.2.0

Avogadro2

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

homepage: https://two.avogadro.cc/index.html

version	versionsuffix	toolchain
1.97.0	-linux-x86_64	system

awscli

Universal Command Line Environment for AWS

homepage: https://pypi.python.org/pypi/awscli

version	versionsuffix	toolchain
1.11.1	-Python-2.7.12	intel/2016b
1.11.56	-Python-2.7.12	foss/2016b
1.16.290	-Python-3.6.6	foss/2018b
1.17.7	-Python-3.7.4	GCCcore/8.3.0
1.18.89	-Python-3.8.2	GCCcore/9.3.0
2.0.55	-Python-3.8.2	GCCcore/9.3.0

B

BabelStream - babl - Bader - BAGEL - BAli-Phy - bam-readcount - Bambi - bamFilters - BAMM - BamM - BAMSurgeon - bamtofastq - BamTools - BamUtil - Bandage - barrnap - basemap - Bash - bashplotlib - bat - BatMeth2 - BayesAss - BayeScan - BayeScEnv - BayesTraits - Bazel - bbcp - bbFTP - BBMap - bc - BCALM - bcbio-gff - BCEL - BCFtools - bcgTree - bcl-convert - bcl2fastq2 - bcolz - BDBag - Beagle - beagle-lib - Beast - BeautifulSoup - BEDOPS - BEDTools - BEEF - behave - BerkeleyGW - BFAST - BFC - bgen - bgen-reader - bibtexparser - BiG-SCAPE - BigDFT - BinSanity - binutils - Bio-DB-HTS - Bio-EUtilities - Bio-SamTools - Bio-SearchIO-hmmer - bioawk - biobambam2 - biogeme - biom-format - biomart-perl - BioPerl - BioPP - Biopython - BioServices - BirdNET - biscuit - Bismark - Bison - bitarray - BLACS - BLASR - blasr_libcpp - BLAST - BLAST+ - BLAT - Blender - BLIS - Blitz++ - BlobTools - Blosc - Blosc2 - BLT - bmtagger - bnpy - BOINC - bokeh - BoltzTraP - Bonito - Bonmin - Bonnie++ - Boost - Boost.MPI - Boost.Python - boost_histogram - boto3 - Bottleneck - Bowtie - Bowtie2 - Bpipe - bpp - bpytop - Bracken - BRAKER - BreakDancer - breseq - Brotli - Brotli-python - Brunsli - bsddb3 - BSMAPz - Bsoft - BSseeker2 - BuDDy - BUFRLIB - buildenv - buildingspy - Bullet - BUSCO - BUStools - BWA - bwa-meth - bwakit - bwidget - BWISE - bx-python - BXH_XCEDE_TOOLS - byacc - byobu - bzip2

BabelStream

STREAM, for lots of devices written in many programming models

homepage: https://uob-hpc.github.io/BabelStream

version	versionsuffix	toolchain
3.4	-omp	GCC/11.2.0

babl

babl is pixel encoding and color space conversion engine in C

homepage: https://www.gegl.org/babl

version	toolchain
0.1.86	GCCcore/10.3.0

Bader

A fast algorithm for doing Bader’s analysis on a charge density grid.

homepage: http://theory.cm.utexas.edu/henkelman/code/bader/

version	toolchain
1.02	intel/2018a
1.03	intel/2018b
1.04	GCC/11.2.0, iccifort/2020.4.304

BAGEL

BAGEL (Brilliantly Advanced General Electronic-structure Library) is a parallel electronic-structure program.

homepage: http://www.nubakery.org

version	toolchain
1.1.1	intel/2016b

BAli-Phy

BAli-Phy estimates multiple sequence alignments and evolutionary trees from DNA, amino acid, or codon sequences.

homepage: http://www.bali-phy.org/

version	toolchain
3.6.0	system

bam-readcount

Count DNA sequence reads in BAM files

homepage: https://github.com/genome/bam-readcount

version	toolchain
0.8.0	GCC/11.2.0, GCC/9.3.0, foss/2018b

Bambi

Bambi is a high-level Bayesian model-building interface written in Python. It works with the probabilistic programming frameworks PyMC3 and is designed to make it extremely easy to fit Bayesian mixed-effects models common in biology, social sciences and other disciplines.

homepage: https://bambinos.github.io/bambi

version	toolchain
0.7.1	foss/2021b, intel/2021b

bamFilters

A utility tool to filter alignments from bam files, using identity percent, low complexity and read coverage.

homepage: https://github.com/institut-de-genomique/bamFilters

version	toolchain
2022-06-30	GCC/11.3.0

BAMM

BAMM is oriented entirely towards detecting and quantifying heterogeneity in evolutionary rates. It uses reversible jump Markov chain Monte Carlo to automatically explore a vast universe of candidate models of lineage diversification and trait evolution.

homepage: http://bamm-project.org/

version	toolchain
2.5.0	foss/2016b

BamM

BamM is a c library, wrapped in python, that parses BAM files

homepage: http://ecogenomics.github.io/BamM/

version	versionsuffix	toolchain
1.7.3	-Python-2.7.12	foss/2016b
1.7.3	-Python-2.7.14	foss/2018a

BAMSurgeon

Tools for adding mutations to existing .bam files, used for testing mutation callers

homepage: https://github.com/adamewing/bamsurgeon

version	versionsuffix	toolchain
1.2	-Python-2.7.16	GCC/8.3.0

bamtofastq

Convert 10x BAM files to the original FASTQs compatible with 10x pipelines.

homepage: https://github.com/10XGenomics/bamtofastq

version	toolchain
1.4.0	GCCcore/10.3.0

BamTools

BamTools provides both a programmer’s API and an end-user’s toolkit for handling BAM files.

homepage: https://github.com/pezmaster31/bamtools

version	toolchain
2.4.0	foss/2016b
2.4.1	intel/2017a
2.5.0	foss/2016b, intel/2017b
2.5.1	GCC/10.2.0, GCC/8.2.0-2.31.1, GCC/8.3.0, GCC/9.3.0, foss/2017b, foss/2018a, foss/2018b, iccifort/2019.1.144-GCC-8.2.0-2.31.1, iccifort/2019.5.281, iccifort/2020.4.304, intel/2017b, intel/2018b
2.5.2	GCC/10.3.0, GCC/11.2.0, GCC/11.3.0

BamUtil

BamUtil is a repository that contains several programs that perform operations on SAM/BAM files. All of these programs are built into a single executable, bam.

homepage: http://genome.sph.umich.edu/wiki/BamUtil

version	toolchain
1.0.13	intel/2016b
1.0.14	intel/2018a

Bandage

Bandage is a program for visualising de novo assembly graphs

homepage: http://rrwick.github.io/Bandage

version	versionsuffix	toolchain
0.8.1	_Centos	system
0.8.1	_Ubuntu	system
0.9.0		GCCcore/11.2.0

barrnap

Barrnap (BAsic Rapid Ribosomal RNA Predictor) predicts the location of ribosomal RNA genes in genomes.

homepage: https://github.com/tseemann/barrnap

version	toolchain
0.9	GCC/8.2.0-2.31.1, foss/2018b, gompi/2020b, gompi/2021b

basemap

The matplotlib basemap toolkit is a library for plotting 2D data on maps in Python

homepage: https://matplotlib.org/basemap/

version	versionsuffix	toolchain
1.0.7	-Python-2.7.13	intel/2017a
1.0.7	-Python-3.6.3	intel/2017b
1.0.7	-Python-3.6.4	intel/2018a
1.2.0	-Python-3.6.6	intel/2018b
1.2.2	-Python-3.8.2	foss/2020a
1.3.6		foss/2022a

Bash

Bash is an sh-compatible command language interpreter that executes commands read from the standard input or from a file. Bash also incorporates useful features from the Korn and C shells (ksh and csh).

homepage: http://www.gnu.org/software/bash

version	toolchain
4.3	GCC/4.9.2

bashplotlib

bashplotlib is a python package and command line tool for making basic plots in the terminal. It’s a quick way to visualize data when you don’t have a GUI.

homepage: https://github.com/glamp/bashplotlib

version	toolchain
0.6.5	GCCcore/10.3.0

bat

The BAT Python package supports the processing and analysis of Bro data with Pandas, scikit-learn, and Spark

homepage: https://pypi.python.org/pypi/bat

version	versionsuffix	toolchain
0.3.3	-Python-3.6.3	intel/2017b

BatMeth2

An Integrated Package for Bisulfite DNA Methylation Data Analysis with Indel-sensitive Mapping.

homepage: https://github.com/GuoliangLi-HZAU/BatMeth2

version	toolchain
2.1	foss/2019b

BayesAss

BayesAss: Bayesian Inference of Recent Migration Using Multilocus Genotypes

homepage: http://www.rannala.org/?page_id=245

version	toolchain
3.0.4	foss/2016a

BayeScan

BayeScan aims at identifying candidate loci under natural selection from genetic data, using differences in allele frequencies between populations.

homepage: http://cmpg.unibe.ch/software/BayeScan/

version	toolchain
2.1	foss/2016a, foss/2018a, intel/2018a

BayeScEnv

BayeScEnv is a Fst-based, genome-scan method that uses environmental variables to detect local adaptation.

homepage: https://github.com/devillemereuil/bayescenv

version	toolchain
1.1	GCC/8.3.0, foss/2016a, iccifort/2019.5.281

BayesTraits

BayesTraits is a computer package for performing analyses of trait evolution among groups of species for which a phylogeny or sample of phylogenies is available. This new package incoporates our earlier and separate programes Multistate, Discrete and Continuous. BayesTraits can be applied to the analysis of traits that adopt a finite number of discrete states, or to the analysis of continuously varying traits. Hypotheses can be tested about models of evolution, about ancestral states and about correlations among pairs of traits.

homepage: http://www.evolution.reading.ac.uk/BayesTraitsV1.html

version	versionsuffix	toolchain
1.0-linux32		system
2.0	-Beta-Linux64	system

Bazel

Bazel is a build tool that builds code quickly and reliably. It is used to build the majority of Google’s software.

homepage: https://bazel.io/

version	versionsuffix	toolchain
0.4.4		system
0.7.0		GCCcore/6.4.0
0.10.0		GCCcore/6.4.0
0.11.0		GCCcore/6.4.0
0.11.1		GCCcore/6.4.0
0.12.0		GCCcore/6.4.0
0.16.0		GCCcore/6.4.0, GCCcore/7.3.0
0.18.0		GCCcore/7.3.0
0.20.0		GCCcore/7.3.0, GCCcore/8.2.0
0.25.2		GCCcore/8.2.0
0.26.1		GCCcore/8.2.0, GCCcore/8.3.0
0.29.1		GCCcore/8.2.0, GCCcore/8.3.0
0.29.1	-Java-1.8	GCCcore/9.3.0
1.1.0		GCCcore/8.3.0
2.0.0		GCCcore/10.2.0, GCCcore/8.3.0
3.4.1		GCCcore/8.3.0
3.6.0		GCCcore/9.3.0
3.7.1		GCCcore/8.3.0
3.7.2		GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/8.3.0
4.2.2		GCCcore/11.2.0
5.1.1		GCCcore/11.3.0

bbcp

BBCP is an alternative to Gridftp when transferring large amounts of data, capable of breaking up your transfer into multiple simultaneous transferring streams, thereby transferring data much faster than single-streaming utilities such as SCP and SFTP. See details at http://pcbunn.cithep.caltech.edu/bbcp/using_bbcp.htm or http://www.nics.tennessee.edu/computing-resources/data-transfer/bbcp

homepage: http://www.slac.stanford.edu/~abh/bbcp/

version	versionsuffix	toolchain
12.01.30.00.0	-amd64_linux26	system

bbFTP

bbFTP is a file transfer software. It implements its own transfer protocol, which is optimized for large files (larger than 2GB) and secure as it does not read the password in a file and encrypts the connection information. bbFTP main features are: * Encoded username and password at connection * SSH and Certificate authentication modules * Multi-stream transfer * Big windows as defined in RFC1323 * On-the-fly data compression * Automatic retry * Customizable time-outs * Transfer simulation * AFS authentication integration * RFIO interface

homepage: https://software.in2p3.fr/bbftp/

version	toolchain
3.2.1	GCCcore/9.3.0, intel/2016a, system

BBMap

BBMap short read aligner, and other bioinformatic tools.

homepage: https://sourceforge.net/projects/bbmap/

version	versionsuffix	toolchain
36.62	-Java-1.8.0_112	intel/2016b
37.93		foss/2018a, intel/2018a
38.26		foss/2018b
38.50b		GCC/8.2.0-2.31.1
38.76		GCC/8.2.0-2.31.1
38.79		GCC/8.3.0
38.87		iccifort/2020.1.217
38.90		GCC/10.2.0, GCC/9.3.0
38.96		GCC/10.3.0
38.98		GCC/11.2.0
39.01		GCC/11.3.0

bc

bc is an arbitrary precision numeric processing language.

homepage: https://www.gnu.org/software/bc/

version	toolchain
1.06.95	GCC/4.8.2

BCALM

de Bruijn graph compaction in low memory

homepage: https://github.com/GATB/bcalm

version	toolchain
2.2.0	foss/2018a

bcbio-gff

Read and write Generic Feature Format (GFF) with Biopython integration.

homepage: https://github.com/chapmanb/bcbb/tree/master/gff

version	versionsuffix	toolchain
0.6.6	-Python-3.8.2	foss/2020a
0.6.7		foss/2021a

BCEL

The Byte Code Engineering Library (Apache Commons BCEL™) is intended to give users a convenient way to analyze, create, and manipulate (binary) Java class files (those ending with .class).

homepage: https://commons.apache.org/proper/commons-bcel/

version	versionsuffix	toolchain
5.2	-Java-1.8	system
6.5.0	-Java-1.8	system

BCFtools

Samtools is a suite of programs for interacting with high-throughput sequencing data. BCFtools - Reading/writing BCF2/VCF/gVCF files and calling/filtering/summarising SNP and short indel sequence variants

homepage: http://www.htslib.org/

version	toolchain
1.3	foss/2016a, intel/2016a
1.3.1	foss/2016b
1.6	foss/2016b, foss/2017b, intel/2017b
1.8	GCC/6.4.0-2.28
1.9	foss/2018a, foss/2018b, iccifort/2019.1.144-GCC-8.2.0-2.31.1, intel/2018b
1.10.2	GCC/8.3.0, GCC/9.3.0, iccifort/2019.5.281
1.11	GCC/10.2.0
1.12	GCC/10.2.0, GCC/10.3.0, GCC/9.3.0
1.14	GCC/11.2.0
1.15.1	GCC/11.3.0

bcgTree

Automatized phylogenetic tree building from bacterial core genomes.

homepage: https://github.com/molbiodiv/bcgTree

version	versionsuffix	toolchain
1.0.10	-Perl-5.26.1	intel/2018a
1.1.0	-Perl-5.28.0	intel/2018b

bcl-convert

The Illumina BCL Convert v4.0 is a standalone local software app that converts the Binary Base Call (BCL) files produced by Illumina sequencing systems to FASTQ files.

homepage: https://support.illumina.com/sequencing/sequencing_software/bcl-convert.html

version	versionsuffix	toolchain
4.0.3-2	el7.x86_64	system

bcl2fastq2

bcl2fastq Conversion Software both demultiplexes data and converts BCL files generated by Illumina sequencing systems to standard FASTQ file formats for downstream analysis.

homepage: https://support.illumina.com/sequencing/sequencing_software/bcl2fastq-conversion-software.html

version	versionsuffix	toolchain
2.19.1	-Python-2.7.12	foss/2016b
2.20.0		GCC/10.2.0, GCC/10.3.0, GCC/11.2.0, GCC/8.3.0, GCC/9.3.0, foss/2018b, intel/2019a
2.20.0	-Python-2.7.12	foss/2016b
2.20.0	-Python-2.7.14	intel/2017b

bcolz

bcolz provides columnar, chunked data containers that can be compressed either in-memory and on-disk. Column storage allows for efficiently querying tables, as well as for cheap column addition and removal. It is based on NumPy, and uses it as the standard data container to communicate with bcolz objects, but it also comes with support for import/export facilities to/from HDF5/PyTables tables and pandas dataframes.

homepage: https://bcolz.blosc.org/en/latest/

version	versionsuffix	toolchain
1.1.1	-Python-2.7.13	foss/2017a
1.2.1		foss/2020b
1.2.1	-Python-3.8.2	foss/2020a

BDBag

The bdbag utilities are a collection of software programs for working with BagIt packages that conform to the Bagit and Bagit/RO profiles.

homepage: https://github.com/fair-research/bdbag

version	versionsuffix	toolchain
1.4.1	-Python-2.7.14	intel/2018a
1.4.1	-Python-3.6.4	intel/2018a
1.6.3		intel/2021b

Beagle

Beagle is a software package for phasing genotypes and for imputing ungenotyped markers.

homepage: https://faculty.washington.edu/browning/beagle/beagle.html

version	versionsuffix	toolchain
5.4.22Jul22.46e	-Java-11	system

beagle-lib

beagle-lib is a high-performance library that can perform the core calculations at the heart of most Bayesian and Maximum Likelihood phylogenetics packages.

homepage: https://github.com/beagle-dev/beagle-lib

version	versionsuffix	toolchain
2.1.2		foss/2016a, foss/2017a
3.0.1		foss/2018a, intel/2018a
3.0.2		foss/2018b
3.0.2	-CUDA-9.2.88	foss/2018b
3.1.2		GCC/10.2.0, GCC/10.3.0, GCC/8.2.0-2.31.1, GCC/9.3.0, gcccuda/2019b, iccifort/2019.1.144-GCC-8.2.0-2.31.1

Beast

BEAST is a cross-platform program for Bayesian MCMC analysis of molecular sequences. It is entirely orientated towards rooted, time-measured phylogenies inferred using strict or relaxed molecular clock models. It can be used as a method of reconstructing phylogenies but is also a framework for testing evolutionary hypotheses without conditioning on a single tree topology. BEAST uses MCMC to average over tree space, so that each tree is weighted proportional to its posterior probability.

homepage: http://beast2.org

version	toolchain
1.8.4	system
1.10.1	intel/2018a
1.10.4	GCC/10.2.0, GCC/8.2.0-2.31.1
2.4.0	foss/2016a
2.4.7	foss/2017a
2.5.0	foss/2018a
2.5.1	foss/2018b
2.5.2	GCC/8.2.0-2.31.1
2.6.3	gcccuda/2019b
2.6.4	GCC/10.2.0
2.6.7	GCC/10.3.0

BeautifulSoup

Beautiful Soup is a Python library designed for quick turnaround projects like screen-scraping.

homepage: https://www.crummy.com/software/BeautifulSoup

version	versionsuffix	toolchain
4.6.0	-Python-3.6.3	intel/2017b
4.6.3	-Python-3.6.4	intel/2018a
4.7.1	-Python-3.6.6	intel/2018b
4.8.0		GCCcore/8.2.0
4.9.1		GCCcore/8.3.0
4.9.1	-Python-3.8.2	GCCcore/9.3.0
4.9.3		GCCcore/10.2.0
4.10.0		GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0

BEDOPS

BEDOPS is an open-source command-line toolkit that performs highly efficient and scalable Boolean and other set operations, statistical calculations, archiving, conversion and other management of genomic data of arbitrary scale. Tasks can be easily split by chromosome for distributing whole-genome analyses across a computational cluster.

homepage: http://bedops.readthedocs.io/en/latest/index.html

version	toolchain
2.4.1	GCC/4.8.4
2.4.2	GCC/4.8.2
2.4.20	system
2.4.26	system
2.4.30	foss/2016b
2.4.32	foss/2018a, intel/2018a
2.4.35	foss/2018b
2.4.41	foss/2021b

BEDTools

BEDTools: a powerful toolset for genome arithmetic. The BEDTools utilities allow one to address common genomics tasks such as finding feature overlaps and computing coverage. The utilities are largely based on four widely-used file formats: BED, GFF/GTF, VCF, and SAM/BAM.

homepage: https://bedtools.readthedocs.io/

version	toolchain
2.25.0	foss/2016a
2.26.0	GCCcore/6.4.0, foss/2016a, intel/2016b, intel/2017a, intel/2017b
2.27.1	GCCcore/6.4.0, foss/2016b, foss/2018b, intel/2017a, intel/2018a
2.28.0	GCC/8.2.0-2.31.1, foss/2018b, iccifort/2019.1.144-GCC-8.2.0-2.31.1
2.29.2	GCC/8.3.0, GCC/9.3.0
2.30.0	GCC/10.2.0, GCC/10.3.0, GCC/11.2.0, GCC/11.3.0, iccifort/2020.4.304

BEEF

BEEF is a library-based implementation of the Bayesian Error Estimation Functional, suitable for linking against by Fortran- or C-based DFT codes. A description of BEEF can be found at http://dx.doi.org/10.1103/PhysRevB.85.235149.

homepage: https://confluence.slac.stanford.edu/display/SUNCAT/BEEF+Functional+Software

version	toolchain
0.1.1	iccifort/2019.5.281, iccifort/2020.4.304

behave

behave: Behavior-driven development (or BDD) is an agile software development technique that encourages collaboration between developers, QA and non-technical or business participants in a software project.

homepage: http://pythonhosted.org/behave

version	versionsuffix	toolchain
1.2.5	-Python-2.7.12	foss/2016b
1.2.6	-Python-3.6.4	intel/2018a

BerkeleyGW

The BerkeleyGW Package is a set of computer codes that calculates the quasiparticle properties and the optical responses of a large variety of materials from bulk periodic crystals to nanostructures such as slabs, wires and molecules.

homepage: https://www.berkeleygw.org

version	versionsuffix	toolchain
1.0.6		intel/2016.02-GCC-4.9
1.1-beta2		intel/2016.02-GCC-4.9
1.2.0		intel/2017a, intel/2018a
2.0.0		foss/2017b, foss/2018b, intel/2017b, intel/2018a
2.1.0	-Python-3.7.4	foss/2019b, intel/2019b
3.0.1		foss/2020b, foss/2021a

BFAST

BFAST facilitates the fast and accurate mapping of short reads to reference sequences. Some advantages of BFAST include: 1) Speed: enables billions of short reads to be mapped quickly. 2) Accuracy: A priori probabilities for mapping reads with defined set of variants. 3) An easy way to measurably tune accuracy at the expense of speed.

homepage: http://bfast.sourceforge.net/

version	toolchain
0.7.0a	foss/2016b

BFC

BFC is a standalone high-performance tool for correcting sequencing errors from Illumina sequencing data. It is specifically designed for high-coverage whole-genome human data, though also performs well for small genomes.

homepage: https://github.com/lh3/bfc

version	toolchain
1	foss/2018a

bgen

A BGEN file format reader. It fully supports the BGEN format specifications 1.2 and 1.3.

homepage: https://github.com/limix/bgen

version	toolchain
3.0.2	GCCcore/7.3.0
3.0.3	GCCcore/9.3.0
4.1.3	GCCcore/10.2.0

bgen-reader

A bgen file format reader. This python package is a wrapper around the bgen library, a low-memory footprint reader that efficiently reads bgen files. It fully supports the bgen format specifications: 1.2 and 1.3; as well as their optional compressed formats.

homepage: https://github.com/limix/bgen-reader-py

version	versionsuffix	toolchain
3.0.2	-Python-3.6.6	foss/2018b

bibtexparser

Bibtex parser in Python 2.7 and 3.x

homepage: https://github.com/sciunto-org/python-bibtexparser

version	toolchain
1.1.0	GCCcore/8.2.0

BiG-SCAPE

BiG-SCAPE and CORASON provide a set of tools to explore the diversity of biosynthetic gene clusters (BGCs) across large numbers of genomes, by constructing BGC sequence similarity networks, grouping BGCs into gene cluster families, and exploring gene cluster diversity linked to enzyme phylogenies.

homepage: https://bigscape-corason.secondarymetabolites.org/index.html

version	versionsuffix	toolchain
1.0.1	-Python-3.7.4	intel/2019b

BigDFT

BigDFT: electronic structure calculation based on Daubechies wavelets. bigdft-suite is a set of different packages to run bigdft.

homepage: https://gitlab.com/l_sim/bigdft-suite

version	toolchain
1.9.1	foss/2021b

BinSanity

BinSanity contains a suite a scripts designed to cluster contigs generated from metagenomic assembly into putative genomes.

homepage: https://github.com/edgraham/BinSanity/wiki

version	versionsuffix	toolchain
0.3.5	-Python-3.7.4	foss/2019b

binutils

binutils: GNU binary utilities

homepage: https://directory.fsf.org/project/binutils/

version	toolchain
2.25	GCC/4.9.2, GCC/4.9.2-binutils-2.25, GCC/4.9.3, GCC/4.9.3-binutils-2.25, GCC/5.1.0-binutils-2.25, GCCcore/4.9.2, GCCcore/4.9.3, GCCcore/4.9.4, system
2.25.1	system
2.26	GCCcore/5.3.0, GCCcore/5.4.0, GCCcore/5.5.0, GCCcore/6.3.0, system
2.27	GCCcore/6.1.0, GCCcore/6.2.0, GCCcore/6.3.0, system
2.28	GCCcore/6.3.0, GCCcore/6.4.0, GCCcore/7.1.0, system
2.29	GCCcore/7.2.0, GCCcore/system, system
2.30	GCCcore/7.3.0, GCCcore/8.1.0, system
2.31.1	GCCcore/7.4.0, GCCcore/8.2.0, system
2.32	GCCcore/8.3.0, GCCcore/9.1.0, GCCcore/9.2.0, system
2.34	GCCcore/10.1.0, GCCcore/9.3.0, system
2.35	GCCcore/10.2.0, system
2.36.1	FCC/4.5.0, GCCcore/10.3.0, GCCcore/11.1.0, GCCcore/8.4.0, GCCcore/9.4.0, system
2.37	GCCcore/11.2.0, system
2.38	GCCcore/11.3.0, GCCcore/12.1.0, GCCcore/9.5.0, system
2.39	GCCcore/12.2.0, system

Bio-DB-HTS

Read files using HTSlib including BAM/CRAM, Tabix and BCF database files

homepage: https://metacpan.org/release/Bio-DB-HTS

version	versionsuffix	toolchain
2.11	-Perl-5.26.0	foss/2017b, intel/2017b
2.11	-Perl-5.26.1	intel/2018a
2.11	-Perl-5.28.0	foss/2018b
3.01		GCC/10.2.0, GCC/11.2.0, GCC/11.3.0
3.01	-Perl-5.28.1	GCC/8.2.0-2.31.1

Bio-EUtilities

BioPerl low-level API for retrieving and storing data from NCBI eUtils

homepage: https://github.com/bioperl/bio-eutilities

version	toolchain
1.76	GCCcore/8.3.0

Bio-SamTools

This is a Perl interface to the SAMtools sequence alignment interface.

homepage: http://search.cpan.org/~lds/Bio-SamTools/

version	versionsuffix	toolchain
1.43	-Perl-5.24.1	intel/2017a

Bio-SearchIO-hmmer

Code to parse output from hmmsearch, hmmscan, phmmer and nhmmer, compatible with both version 2 and version 3 of the HMMER package from http://hmmer.org.

homepage: https://metacpan.org/pod/Bio::SearchIO::hmmer3

version	toolchain
1.7.3	GCC/10.2.0, GCC/10.3.0

bioawk

Bioawk is an extension to Brian Kernighan’s awk, adding the support of several common biological data formats, including optionally gzip’ed BED, GFF, SAM, VCF, FASTA/Q and TAB-delimited formats with column names.

homepage: https://github.com/lh3/bioawk

version	toolchain
1.0	GCC/10.3.0, GCC/11.2.0, foss/2018b

biobambam2

Tools for processing BAM files

homepage: https://github.com/gt1/biobambam2

version	toolchain
2.0.87	intel/2018a

biogeme

Biogeme is a open source Python package designed for the maximum likelihood estimation of parametric models in general, with a special emphasis on discrete choice models.

homepage: https://pypi.python.org/pypi/biogeme

version	toolchain
3.1.2	foss/2021a
3.2.6	foss/2022a
3.2.8	foss/2021a
3.2.10	foss/2022a

biom-format

The BIOM file format (canonically pronounced biome) is designed to be a general-use format for representing biological sample by observation contingency tables. BIOM is a recognized standard for the Earth Microbiome Project and is a Genomics Standards Consortium supported project.

homepage: https://biom-format.org

version	versionsuffix	toolchain
2.1.10	-Python-3.8.2	foss/2020a
2.1.12		foss/2021b

biomart-perl

The BioMart Perl API allows you to go a step further with BioMart and integrate BioMart Perl Code into custom Perl scripts.

homepage: https://useast.ensembl.org/info/data/biomart/biomart_perl_api.html

version	versionsuffix	toolchain
0.7_e6db561	-Perl-5.26.0	GCCcore/6.4.0

BioPerl

Bioperl is the product of a community effort to produce Perl code which is useful in biology. Examples include Sequence objects, Alignment objects and database searching objects.

homepage: https://bioperl.org/

version	versionsuffix	toolchain
1.6.924	-Perl-5.20.3	intel/2016a
1.6.924	-Perl-5.22.1	foss/2016a
1.7.0	-Perl-5.24.0	foss/2016b
1.7.1	-Perl-5.24.0	intel/2016b
1.7.1	-Perl-5.24.1	intel/2017a
1.7.2		GCCcore/8.3.0
1.7.2	-Perl-5.26.0	foss/2017b, intel/2017b
1.7.2	-Perl-5.26.1	intel/2018a
1.7.2	-Perl-5.28.0	foss/2018b, intel/2018b
1.7.2	-Perl-5.28.1	GCCcore/8.2.0
1.7.7		GCCcore/9.3.0
1.7.8		GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0

BioPP

Bio++ is a set of C++ libraries for Bioinformatics, including sequence analysis, phylogenetics, molecular evolution and population genetics. Bio++ is Object Oriented and is designed to be both easy to use and computer efficient. Bio++ intends to help programmers to write computer expensive programs, by providing them a set of re-usable tools.

homepage: https://github.com/BioPP/bpp-core

version	toolchain
2.4.1	GCC/8.2.0-2.31.1, GCC/9.3.0

Biopython

Biopython is a set of freely available tools for biological computation written in Python by an international team of developers. It is a distributed collaborative effort to develop Python libraries and applications which address the needs of current and future work in bioinformatics.

homepage: https://www.biopython.org

version	versionsuffix	toolchain
1.65	-Python-2.7.11	foss/2016a
1.68	-Python-2.7.12	foss/2016b, intel/2016b
1.68	-Python-3.5.2	foss/2016b, intel/2016b
1.70	-Python-2.7.13	foss/2017a
1.70	-Python-2.7.14	foss/2017b, intel/2017b
1.70	-Python-3.6.1	intel/2017a
1.70	-Python-3.6.3	foss/2017b, intel/2017b
1.71	-Python-2.7.14	intel/2018a
1.71	-Python-3.6.4	foss/2018a, intel/2018a
1.72	-Python-2.7.15	foss/2018b, intel/2018b
1.72	-Python-3.6.6	foss/2018b
1.73		foss/2019a, fosscuda/2019a, intel/2019a
1.73	-Python-3.6.6	foss/2018b
1.74		foss/2019a
1.75	-Python-2.7.16	foss/2019b
1.75	-Python-3.7.4	foss/2019b, fosscuda/2019b, intel/2019b
1.76	-Python-2.7.18	foss/2020b
1.78		foss/2020b, fosscuda/2020b, intel/2020b
1.78	-Python-3.8.2	foss/2020a, intel/2020a
1.79		foss/2021a, foss/2021b, foss/2022a, intel/2021b

BioServices

Bioservices is a Python package that provides access to many Bioinformatices Web Services (e.g., UniProt) and a framework to easily implement Web Services wrappers (based on WSDL/SOAP or REST protocols).

homepage: https://bioservices.readthedocs.io/

version	versionsuffix	toolchain
1.7.9	-Python-3.8.2	foss/2020a

BirdNET

BirdNET is a research platform that aims at recognizing birds by sound at scale. We support various hardware and operating systems such as Arduino microcontrollers, the Raspberry Pi, smartphones, web browsers, workstation PCs, and even cloud services. BirdNET is a citizen science platform as well as an analysis software for extremely large collections of audio. BirdNET aims to provide innovative tools for conservationists, biologists, and birders alike.

homepage: https://birdnet.cornell.edu/

version	versionsuffix	toolchain
20201214	-Python-3.7.4	fosscuda/2019b

biscuit

Utilities to help analyze bisulfite-treated sequence data

homepage: https://github.com/zwdzwd/biscuit

version	toolchain
0.1.4	foss/2016a

Bismark

A tool to map bisulfite converted sequence reads and determine cytosine methylation states

homepage: https://www.bioinformatics.babraham.ac.uk/projects/bismark/

version	toolchain
0.19.0	intel/2017b
0.20.1	foss/2018b, intel/2018b
0.23.1	foss/2021b

Bison

Bison is a general-purpose parser generator that converts an annotated context-free grammar into a deterministic LR or generalized LR (GLR) parser employing LALR(1) parser tables.

homepage: https://www.gnu.org/software/bison

version	toolchain
2.7	GCC/4.8.1, GCC/4.8.4, GCCcore/6.3.0, GCCcore/6.4.0, system
3.0.2	GCC/4.8.2
3.0.3	GCC/4.9.2
3.0.4	GCC/4.9.2, GCC/4.9.2-binutils-2.25, GCC/4.9.3, GCC/4.9.3-2.25, GCC/4.9.3-binutils-2.25, GCC/5.1.0-binutils-2.25, GCCcore/4.9.2, GCCcore/4.9.3, GCCcore/4.9.4, GCCcore/5.3.0, GCCcore/5.4.0, GCCcore/5.5.0, GCCcore/6.1.0, GCCcore/6.2.0, GCCcore/6.3.0, GCCcore/6.4.0, GCCcore/7.1.0, GCCcore/7.2.0, GCCcore/7.3.0, GCCcore/8.1.0, GCCcore/system, GNU/4.9.3-2.25, foss/2016a, foss/2016b, gimkl/2.11.5, gimkl/2017a, intel/2016.02-GCC-4.9, intel/2016a, intel/2016b, iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25, system
3.0.5	GCCcore/5.5.0, GCCcore/6.3.0, GCCcore/6.4.0, GCCcore/7.2.0, GCCcore/7.3.0, GCCcore/8.1.0, GCCcore/8.2.0, GCCcore/system, system
3.2.2	GCCcore/7.4.0
3.3.2	GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/8.4.0, GCCcore/9.1.0, GCCcore/9.2.0, system
3.5.2	system
3.5.3	GCCcore/10.2.0, GCCcore/9.3.0, system
3.6.1	GCCcore/10.1.0
3.7.1	GCCcore/10.2.0, system
3.7.6	FCC/4.5.0, GCCcore/10.3.0, GCCcore/11.1.0, GCCcore/11.2.0, GCCcore/9.4.0, system
3.8.2	GCCcore/11.3.0, GCCcore/12.1.0, GCCcore/12.2.0, GCCcore/9.5.0, system

bitarray

bitarray provides an object type which efficiently represents an array of booleans

homepage: https://github.com/ilanschnell/bitarray

version	versionsuffix	toolchain
0.8.3	-Python-2.7.15	intel/2018b
0.8.3	-Python-3.6.6	intel/2018b
1.2.1	-Python-3.7.4	foss/2019b
1.5.3	-Python-2.7.16	GCC/8.3.0

BLACS

The BLACS (Basic Linear Algebra Communication Subprograms) project is an ongoing investigation whose purpose is to create a linear algebra oriented message passing interface that may be implemented efficiently and uniformly across a large range of distributed memory platforms.

homepage: http://www.netlib.org/blacs/

version	toolchain
1.1	gmvapich2/2016a

BLASR

The PacBio® long read aligner

homepage: https://github.com/PacificBiosciences/blasr

version	toolchain
2.2	intel/2016b
5.3.3	gompi/2019a
20170330	intel/2017a

blasr_libcpp

Blasr_libcpp is a library used by blasr and other executables such as samtoh5, loadPulses for analyzing PacBio sequences

homepage: https://github.com/PacificBiosciences/blasr_libcpp

version	toolchain
20170426	intel/2017a

BLAST

Basic Local Alignment Search Tool, or BLAST, is an algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences.

homepage: http://blast.ncbi.nlm.nih.gov/

version	versionsuffix	toolchain
2.2.26	-Linux_x86_64	system
2.8.1	-Linux_x86_64	system
2.10.0	-Linux_x86_64	system
2.10.1	-Linux_x86_64	system
2.11.0	-Linux_x86_64	system

BLAST+

Basic Local Alignment Search Tool, or BLAST, is an algorithm for comparing primary biological sequence information, such as the amino-acid sequences of different proteins or the nucleotides of DNA sequences.

homepage: https://blast.ncbi.nlm.nih.gov/

version	versionsuffix	toolchain
2.2.31		system
2.3.0	-Python-2.7.11	foss/2016a
2.6.0	-Python-2.7.12	foss/2016b
2.6.0	-Python-2.7.13	foss/2017a, intel/2017a
2.6.0	-Python-2.7.14	intel/2017b
2.7.1		foss/2018a, foss/2018b, intel/2018a, intel/2018b
2.7.1	-Python-2.7.14	intel/2017b
2.8.1		foss/2018b
2.9.0		gompi/2019a, gompi/2019b, gompi/2021b, iimpi/2019a, iimpi/2019b
2.10.1		gompi/2020a, iimpi/2020a
2.11.0		gompi/2019b, gompi/2020a, gompi/2020b, gompi/2021a
2.12.0		gompi/2021b
2.13.0		gompi/2022a

BLAT

BLAT on DNA is designed to quickly find sequences of 95% and greater similarity of length 25 bases or more.

homepage: http://genome.ucsc.edu/FAQ/FAQblat.html

version	toolchain
3.5	GCC/8.2.0-2.31.1, GCC/8.3.0, GCC/9.3.0, foss/2016b, foss/2018b, intel/2016b, intel/2017a

Blender

Blender is the free and open source 3D creation suite. It supports the entirety of the 3D pipeline-modeling, rigging, animation, simulation, rendering, compositing and motion tracking, even video editing and game creation.

homepage: https://www.blender.org/

version	versionsuffix	toolchain
2.77a	-Python-3.5.2	intel/2016b
2.79	-Python-3.6.1	intel/2017a
2.79b	-Python-3.6.6	intel/2018b
2.79b	-Python-3.6.6-CUDA-9.2.88	foss/2018b
2.81	-Python-3.7.4	foss/2019b, intel/2019b
3.0.0	-linux-x64	system
3.1.2	-linux-x64	system
3.2.2	-linux-x64	system
3.3.1	-linux-x86_64-CUDA-11.7.0	system

BLIS

AMD’s fork of BLIS. BLIS is a portable software framework for instantiating high-performance BLAS-like dense linear algebra libraries.

homepage: https://developer.amd.com/amd-cpu-libraries/blas-library/

version	versionsuffix	toolchain
0.3.2		GCC/7.3.0-2.30
0.6.0		GCC/8.3.0-2.32
0.8.0		GCCcore/10.2.0, GCCcore/9.3.0
0.8.1		GCC/10.3.0, GCC/11.2.0, GCCcore/10.3.0
0.9.0		GCC/11.3.0, GCC/12.2.0, intel-compilers/2022.1.0
1.2	-amd	GCC/7.3.0-2.30
2.2	-amd	GCCcore/9.3.0
3.0	-amd	GCCcore/10.3.0
3.0.1	-amd	GCC/11.2.0, GCCcore/10.2.0, GCCcore/10.3.0
3.1	-amd	GCCcore/11.2.0

Blitz++

Blitz++ is a (LGPLv3+) licensed meta-template library for array manipulation in C++ with a speed comparable to Fortran implementations, while preserving an object-oriented interface

homepage: https://github.com/blitzpp/blitz

version	toolchain
0.10	GCCcore/6.4.0, foss/2016a
1.0.2	GCCcore/10.2.0, GCCcore/11.3.0, GCCcore/9.3.0

BlobTools

A modular command-line solution for visualisation, quality control and taxonomic partitioning of genome datasets.

homepage: https://blobtools.readme.io/docs

version	versionsuffix	toolchain
20180528	-Python-2.7.15	foss/2018b

Blosc

Blosc, an extremely fast, multi-threaded, meta-compressor library

homepage: https://www.blosc.org/

version	toolchain
1.11.1	intel/2016b
1.12.1	GCCcore/6.4.0, foss/2016b, foss/2017a, intel/2017a
1.14.2	GCCcore/6.4.0, foss/2016a
1.14.4	GCCcore/7.3.0
1.17.0	GCCcore/8.2.0
1.17.1	GCCcore/8.3.0, GCCcore/9.3.0
1.21.0	GCCcore/10.2.0, GCCcore/10.3.0
1.21.1	GCCcore/11.2.0
1.21.3	GCCcore/11.3.0

Blosc2

Blosc, an extremely fast, multi-threaded, meta-compressor library

homepage: https://www.blosc.org/

version	toolchain
2.0.3	GCCcore/10.2.0
2.0.4	GCCcore/10.3.0
2.4.3	GCCcore/11.3.0

BLT

BLT is an extension to the Tk toolkit, adding new widgets, geometry managers, and miscellaneous commands.

homepage: http://blt.sourceforge.net/

version	toolchain
20181223	GCCcore/11.2.0

bmtagger

Best Match Tagger for removing human reads from metagenomics datasets

homepage: ftp://ftp.ncbi.nlm.nih.gov/pub/agarwala/bmtagger/

version	toolchain
3.101	foss/2018b, gompi/2019a, gompi/2020b

bnpy

Bayesian nonparametric machine learning for python provides code for training popular clustering models on large datasets. The focus is on Bayesian nonparametric models based on the Dirichlet process, but it also provides parametric counterparts.

homepage: https://github.com/bnpy/bnpy

version	versionsuffix	toolchain
0.1.6	-Python-2.7.15	foss/2018b

BOINC

BOINC is a program that lets you donate your idle computer time to science projects like SETI@home, Climateprediction.net, Rosetta@home, World Community Grid, and many others.

homepage: https://boinc.berkeley.edu

version	versionsuffix	toolchain
7.2.42	-client	GCC/4.8.2

bokeh

Statistical and novel interactive HTML plots for Python

homepage: https://github.com/bokeh/bokeh

version	versionsuffix	toolchain
0.12.3	-Python-2.7.12	intel/2016b
0.12.3	-Python-3.5.2	intel/2016b
0.12.15	-Python-3.6.4	intel/2018a
1.0.4	-Python-3.6.6	foss/2018b, intel/2018b
1.3.4	-Python-3.7.2	foss/2019a
1.4.0	-Python-3.7.4	foss/2019b, fosscuda/2019b, intel/2019b
2.0.2	-Python-3.8.2	foss/2020a, intel/2020a
2.2.3		foss/2020b, fosscuda/2020b, intel/2020b, intelcuda/2020b
2.4.1		foss/2021a
2.4.2		foss/2021b
2.4.3		foss/2022a

BoltzTraP

Boltzmann Transport Properties (BoltzTraP) is a program for calculating the semi-classic transport coefficients.

homepage: http://www.icams.de/content/departments/cmat/boltztrap/

version	toolchain
1.2.5	intel/2016a

Bonito

Convolution Basecaller for Oxford Nanopore Reads

homepage: https://github.com/nanoporetech/bonito

version	versionsuffix	toolchain
0.1.0	-Python-3.7.4	foss/2019b, fosscuda/2019b
0.1.4	-Python-3.7.4	fosscuda/2019b
0.2.0	-Python-3.7.4	fosscuda/2019b
0.2.2	-Python-3.7.4	fosscuda/2019b
0.3.2	-Python-3.7.4	fosscuda/2019b
0.3.5	-Python-3.7.4	fosscuda/2019b
0.3.8		fosscuda/2020b
0.4.0		fosscuda/2020b

Bonmin

Ipopt (Interior Point OPTimizer, pronounced eye-pea-Opt) is a software package for large-scale nonlinear optimization.

homepage: https://coin-or.github.io/Ipopt

version	toolchain
1.8.7	intel/2019a

Bonnie++

Enhanced performance Test of Filesystem I/O

homepage: https://www.coker.com.au/bonnie++

version	toolchain
1.97	foss/2016a
2.00a	GCC/10.3.0

Boost

Boost provides free peer-reviewed portable C++ source libraries.

homepage: https://www.boost.org/

version	versionsuffix	toolchain
1.54.0	-Python-2.7.12	foss/2016b
1.55.0		system
1.55.0	-Python-2.7.11	foss/2016a
1.57.0	-Python-2.7.10	gimkl/2.11.5
1.58.0		intel/2017a
1.58.0	-Python-2.7.11	foss/2016a, intel/2016a
1.58.0	-serial	GCC/4.9.2
1.59.0	-Python-2.7.11	foss/2016a, intel/2016a
1.60.0		foss/2016a, intel/2016a
1.60.0	-Python-2.7.11	foss/2016a, intel/2016a
1.60.0	-Python-3.5.1	foss/2016a
1.61.0		foss/2016a, foss/2016b, intel/2016a, intel/2016b
1.61.0	-Python-2.7.11	foss/2016a, intel/2016a
1.61.0	-Python-2.7.12	foss/2016b, intel/2016b
1.61.0	-Python-3.5.1	foss/2016a
1.62.0	-Python-2.7.12	intel/2016b
1.63.0		foss/2017a
1.63.0	-Python-2.7.12	foss/2016b, intel/2016b
1.63.0	-Python-2.7.13	foss/2017a, intel/2017a
1.63.0	-Python-2.7.14	foss/2018a, intel/2017b
1.63.0	-Python-3.5.2	foss/2016b
1.64.0		gompi/2019a, gompic/2019a, intel/2017a
1.64.0	-Python-2.7.13	intel/2017a
1.65.0	-Python-2.7.13	intel/2017a
1.65.1		foss/2017a, foss/2017b, intel/2017a, intel/2017b
1.65.1	-Python-2.7.13	intel/2017a
1.65.1	-Python-2.7.14	foss/2017b, intel/2017b
1.65.1	-Python-3.6.3	foss/2017b, intel/2017b
1.66.0		foss/2018a, intel/2017b, intel/2018.01, intel/2018a
1.66.0	-Python-2.7.14	foss/2018a, intel/2017b, intel/2018a
1.66.0	-Python-3.6.3	intel/2018.01
1.66.0	-Python-3.6.4	foss/2018a, intel/2018a
1.66.0	-no_mpi	GCCcore/6.4.0
1.67.0		foss/2018b, fosscuda/2018b, intel/2018a, intel/2018b
1.67.0	-Python-2.7.14	foss/2018a
1.68.0	-Python-2.7.15	foss/2018b, intel/2018b
1.68.0	-Python-3.6.6	foss/2018b, intel/2018b
1.69.0		intel/2019.01
1.70.0		gompi/2019a, gompic/2019a, iimpi/2019a, iimpic/2019a
1.71.0		gompi/2019b, gompic/2019b, iimpi/2019b, iimpic/2019b
1.72.0		gompi/2020a, gompic/2020a, iimpi/2020a
1.72.0	-no_mpi	GCCcore/9.3.0
1.74.0		GCC/10.2.0, iccifort/2020.4.304
1.75.0		GCC/11.2.0
1.76.0		GCC/10.3.0, intel-compilers/2021.2.0
1.77.0		GCC/11.2.0, intel-compilers/2021.4.0
1.79.0		GCC/11.2.0, GCC/11.3.0

Boost.MPI

Boost provides free peer-reviewed portable C++ source libraries.

homepage: https://www.boost.org/

version	toolchain
1.77.0	gompi/2021b
1.79.0	gompi/2022a

Boost.Python

Boost.Python is a C++ library which enables seamless interoperability between C++ and the Python programming language.

homepage: https://boostorg.github.io/python

version	versionsuffix	toolchain
1.64.0		gompi/2019a, gompic/2019a
1.65.1	-Python-2.7.14	foss/2017b, intel/2017b
1.66.0	-Python-2.7.14	intel/2018a
1.66.0	-Python-3.6.4	foss/2018a, intel/2018a
1.67.0	-Python-2.7.15	foss/2018b, fosscuda/2018b, intel/2018b
1.67.0	-Python-3.6.6	foss/2018b, intel/2018b
1.70.0		gompi/2019a, gompic/2019a, iimpi/2019a, iimpic/2019a
1.71.0		gompi/2019b, gompic/2019b, iimpi/2019b, iimpic/2019b
1.72.0		gompi/2020a, gompic/2020a, iimpi/2020a
1.74.0		GCC/10.2.0
1.76.0		GCC/10.3.0
1.77.0		GCC/11.2.0
1.79.0		GCC/11.3.0

boost_histogram

Boost-histogram is a Python package providing Python bindings for Boost.Histogram.

homepage: https://boost-histogram.readthedocs.io

version	toolchain
1.2.1	foss/2021a

boto3

Boto3 is the Amazon Web Services (AWS) Software Development Kit (SDK) for Python, which allows Python developers to write software that makes use of services like Amazon S3 and Amazon EC2.

homepage: https://github.com/boto/boto3

version	toolchain
1.20.13	GCCcore/10.3.0, GCCcore/11.2.0
1.26.37	GCCcore/11.3.0

Bottleneck

Fast NumPy array functions written in C

homepage: https://kwgoodman.github.io/bottleneck-doc

version	versionsuffix	toolchain
1.2.1	-Python-3.6.4	intel/2018a
1.3.2	-Python-3.8.2	foss/2020a

Bowtie

Bowtie is an ultrafast, memory-efficient short read aligner. It aligns short DNA sequences (reads) to the human genome.

homepage: http://bowtie-bio.sourceforge.net/index.shtml

version	toolchain
1.1.2	GCCcore/5.4.0, GCCcore/6.3.0, foss/2016a, intel/2016b, intel/2017a, intel/2018a
1.2.1.1	foss/2016b, intel/2017b
1.2.2	foss/2018b, intel/2017b, intel/2018a
1.2.3	GCC/8.2.0-2.31.1, GCC/8.3.0, GCC/9.3.0, foss/2018b, iccifort/2019.1.144-GCC-8.2.0-2.31.1, iccifort/2019.5.281
1.3.0	GCC/10.2.0, GCC/9.3.0
1.3.1	GCC/11.2.0

Bowtie2

Bowtie 2 is an ultrafast and memory-efficient tool for aligning sequencing reads to long reference sequences. It is particularly good at aligning reads of about 50 up to 100s or 1,000s of characters, and particularly good at aligning to relatively long (e.g. mammalian) genomes. Bowtie 2 indexes the genome with an FM Index to keep its memory footprint small: for the human genome, its memory footprint is typically around 3.2 GB. Bowtie 2 supports gapped, local, and paired-end alignment modes.

homepage: https://bowtie-bio.sourceforge.net/bowtie2/index.shtml

version	toolchain
2.2.8	foss/2016a
2.2.9	foss/2016a, intel/2016b
2.3.2	foss/2016b, foss/2017a, intel/2017a
2.3.3.1	intel/2017b
2.3.4	intel/2017b
2.3.4.1	foss/2017b, intel/2017b, intel/2018a
2.3.4.2	foss/2018b, intel/2018b
2.3.4.3	foss/2017b
2.3.5.1	GCC/8.2.0-2.31.1, GCC/8.3.0, iccifort/2019.1.144-GCC-8.2.0-2.31.1, iccifort/2019.5.281
2.4.1	GCC/9.3.0
2.4.2	GCC/10.2.0, GCC/9.3.0
2.4.4	GCC/10.3.0, GCC/11.2.0
2.4.5	GCC/11.3.0

Bpipe

Bpipe - a tool for running and managing bioinformatics pipelines

homepage: http://docs.bpipe.org/

version	toolchain
0.9.9.2	intel/2017a

bpp

The aim of this project is to implement a versatile high-performance version of the BPP software.

homepage: https://github.com/bpp/bpp

version	toolchain
4.3.8	GCC/8.3.0
4.4.0	GCC/10.3.0

bpytop

Resource monitor that shows usage and stats for processor, memory, disks, network and processes.

homepage: https://github.com/aristocratos/bpytop/

version	toolchain
1.0.60	GCCcore/10.2.0
1.0.67	GCCcore/10.3.0

Bracken

Bracken (Bayesian Reestimation of Abundance with KrakEN) is a highly accurate statistical method that computes the abundance of species in DNA sequences from a metagenomics sample. Braken uses the taxonomy labels assigned by Kraken, a highly accurate metagenomics classification algorithm, to estimate the number of reads originating from each species present in a sample. Kraken classifies reads to the best matching location in the taxonomic tree, but does not estimate abundances of species. We use the Kraken database itself to derive probabilities that describe how much sequence from each genome is identical to other genomes in the database, and combine this information with the assignments for a particular sample to estimate abundance at the species level, the genus level, or above. Combined with the Kraken classifier, Bracken produces accurate species- and genus-level abundance estimates even when a sample contains two or more near-identical species. NOTE: Bracken is compatible with both Kraken 1 and Kraken 2. However, the default kmer length is different depending on the version of Kraken used. If you use Kraken 1 defaults, specify 31 as the kmer length. If you use Kraken 2 defaults, specify 35 as the kmer length.

homepage: https://ccb.jhu.edu/software/bracken/

version	toolchain
2.6.0	GCCcore/9.3.0
2.6.2	GCCcore/11.2.0
2.7	GCCcore/11.2.0

BRAKER

BRAKER is a pipeline for fully automated prediction of protein coding genes with GeneMark-ES/ET and AUGUSTUS in novel eukaryotic genomes.

homepage: https://github.com/Gaius-Augustus/BRAKER

version	versionsuffix	toolchain
2.1.2		intel/2019a
2.1.5	-Python-3.7.4	intel/2019b
2.1.6		foss/2021b

BreakDancer

BreakDancer is a Perl/C++ package that provides genome-wide detection of structural variants from next generation paired-end sequencing reads

homepage: http://gmt.genome.wustl.edu/packages/breakdancer

version	toolchain
1.4.5	intel/2017a

breseq

breseq is a computational pipeline for the analysis of short-read re-sequencing data

homepage: https://barricklab.org/breseq

version	versionsuffix	toolchain
0.35.0	-R-3.6.0	intel/2019a
0.35.4	-R-4.0.0	foss/2020a
0.36.1		foss/2021b

Brotli

Brotli is a generic-purpose lossless compression algorithm that compresses data using a combination of a modern variant of the LZ77 algorithm, Huffman coding and 2nd order context modeling, with a compression ratio comparable to the best currently available general-purpose compression methods. It is similar in speed with deflate but offers more dense compression. The specification of the Brotli Compressed Data Format is defined in RFC 7932.

homepage: https://github.com/google/brotli

version	toolchain
1.0.9	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/12.2.0, GCCcore/8.3.0

Brotli-python

Brotli is a generic-purpose lossless compression algorithm that compresses data using a combination of a modern variant of the LZ77 algorithm, Huffman coding and 2nd order context modeling, with a compression ratio comparable to the best currently available general-purpose compression methods. It is similar in speed with deflate but offers more dense compression. The specification of the Brotli Compressed Data Format is defined in RFC 7932.

homepage: https://github.com/google/brotli

version	toolchain
1.0.9	GCCcore/10.3.0

Brunsli

Brunsli is a lossless JPEG repacking library.

homepage: https://github.com/google/brunsli/

version	toolchain
0.1	GCCcore/10.2.0, GCCcore/10.3.0

bsddb3

bsddb3 is a nearly complete Python binding of the Oracle/Sleepycat C API for the Database Environment, Database, Cursor, Log Cursor, Sequence and Transaction objects.

homepage: https://pypi.org/project/bsddb3/

version	versionsuffix	toolchain
6.2.6		GCCcore/8.2.0
6.2.6	-Python-2.7.15	fosscuda/2018b
6.2.9		GCCcore/10.2.0, GCCcore/11.3.0

BSMAPz

Updated and optimized fork of BSMAP. BSMAPz is a short reads mapping program for bisulfite sequencing in DNA methylation study.

homepage: https://github.com/zyndagj/BSMAPz

version	versionsuffix	toolchain
1.1.1	-Python-2.7.16	intel/2019b

Bsoft

Bsoft is a collection of programs and a platform for development of software for image and molecular processing in structural biology. Problems in structural biology are approached with a highly modular design, allowing fast development of new algorithms without the burden of issues such as file I/O. It provides an easily accessible interface, a resource that can be and has been used in other packages.

homepage: https://lsbr.niams.nih.gov/bsoft/

version	toolchain
2.0.2	foss/2017b
2.0.7	GCC/9.3.0

BSseeker2

BS-Seeker2 is a seamless and versatile pipeline for accurately and fast mapping the bisulfite-treated reads.

homepage: http://pellegrini-legacy.mcdb.ucla.edu/bs_seeker2

version	versionsuffix	toolchain
2.1.8	-Python-2.7.16	GCC/8.3.0, iccifort/2019.5.281

BuDDy

A Binary Decision Diagram library, with many highly efficient vectorized BDD operations, dynamic variable reordering, automated garbage collection, a C++ interface with automatic reference counting, and much more.

homepage: http://buddy.sourceforge.net/

version	toolchain
2.4	GCCcore/10.2.0

BUFRLIB

NCEP BUFRLIB software to encode or decode BUFR messages. It is not intended to be a primer on the BUFR code form itself.

homepage: https://www.emc.ncep.noaa.gov/index.php?branch=BUFRLIB

version	toolchain
11.3.0.2	iccifort/2020.1.217

buildenv

This module sets a group of environment variables for compilers, linkers, maths libraries, etc., that you can use to easily transition between toolchains when building your software. To query the variables being set please use: module show <this module name>

homepage: None

version	versionsuffix	toolchain
default		FCC/4.5.0, Fujitsu/21.05, foss/2017b, foss/2018b, foss/2019b, foss/2020a, foss/2020b, foss/2021a, foss/2021b, foss/2022a, fosscuda/2019b, fosscuda/2020a, fosscuda/2020b, intel/2016b, intel/2017a, intel/2019b, intel/2020a, intel/2020b, intel/2021a, intel/2021b, intel/2022a, intelcuda/2019b, intelcuda/2020a, intelcuda/2020b
default	-CUDA-11.3.1	foss/2021a
default	-CUDA-11.4.1	foss/2021b
default	-CUDA-11.7.0	foss/2022a

buildingspy

Python modules for automating Modelica simulations and for running unit test for the Buildings library

homepage: https://simulationresearch.lbl.gov/modelica/buildingspy

version	toolchain
4.0.0	foss/2022a

Bullet

Bullet professional 3D Game Multiphysics Library provides state of the art collision detection, soft body and rigid body dynamics.

homepage: http://bulletphysics.org/

version	toolchain
2.83.7	foss/2016a, intel/2016a

BUSCO

BUSCO: assessing genome assembly and annotation completeness with single-copy orthologs

homepage: https://busco.ezlab.org/

version	versionsuffix	toolchain
1.22	-Python-2.7.13	intel/2017a
2.0.1	-Python-2.7.13	intel/2017a
3.0.2	-Python-2.7.15	intel/2018b
4.0.5	-Python-3.7.4	foss/2019b
4.0.6		foss/2020b
5.0.0		foss/2020b
5.1.2		foss/2020b
5.4.2		foss/2021a
5.4.3		foss/2021b

BUStools

bustools is a program for manipulating BUS files for single cell RNA-Seq datasets. It can be used to error correct barcodes, collapse UMIs, produce gene count or transcript compatibility count matrices, and is useful for many other tasks. See the kallisto | bustools website for examples and instructions on how to use bustools as part of a single-cell RNA-seq workflow.

homepage: https://github.com/BUStools/bustools

version	toolchain
0.40.0	GCCcore/9.3.0, foss/2018b

BWA

Burrows-Wheeler Aligner (BWA) is an efficient program that aligns relatively short nucleotide sequences against a long reference sequence such as the human genome.

homepage: http://bio-bwa.sourceforge.net/

version	toolchain
0.7.12	foss/2016b
0.7.13	foss/2016a, intel/2016a
0.7.15	GCCcore/5.4.0, GCCcore/6.4.0, foss/2016a, foss/2016b, intel/2016b, intel/2017a
0.7.16a	foss/2016b, intel/2017a
0.7.17	GCC/10.2.0, GCC/10.3.0, GCC/8.2.0-2.31.1, GCC/8.3.0, GCC/9.3.0, GCCcore/11.2.0, GCCcore/11.3.0, foss/2017b, foss/2018a, foss/2018b, iccifort/2019.1.144-GCC-8.2.0-2.31.1, iccifort/2019.5.281, iccifort/2020.4.304, intel/2017b, intel/2018a, intel/2018b

bwa-meth

Fast and accurante alignment of BS-Seq reads.

homepage: https://github.com/brentp/bwa-meth

version	toolchain
0.2.2	iccifort/2019.1.144-GCC-8.2.0-2.31.1, iccifort/2019.5.281

bwakit

Bwakit is a self-consistent installation-free package of scripts and precompiled binaries, providing an end-to-end solution to read mapping.

homepage: https://github.com/lh3/bwa/tree/master/bwakit

version	versionsuffix	toolchain
0.7.15	_x64-linux	system

bwidget

The BWidget Toolkit is a high-level Widget Set for Tcl/Tk built using native Tcl/Tk 8.x namespaces.

homepage: https://core.tcl-lang.org/bwidget/home

version	toolchain
1.9.13	GCCcore/8.2.0
1.9.14	GCCcore/10.2.0, GCCcore/8.3.0, GCCcore/9.3.0
1.9.15	GCCcore/11.2.0, GCCcore/11.3.0

BWISE

de Bruijn Workflow using Integral information of Short pair End reads

homepage: https://github.com/Malfoy/BWISE

version	versionsuffix	toolchain
20180820	-Python-3.6.4	foss/2018a

bx-python

The bx-python project is a Python library and associated set of scripts to allow for rapid implementation of genome scale analyses.

homepage: https://github.com/bxlab/bx-python

version	versionsuffix	toolchain
0.7.4	-Python-2.7.12	foss/2016b
0.7.4	-Python-2.7.13	intel/2017a
0.8.1	-Python-2.7.14	intel/2018a
0.8.2	-Python-3.6.6	foss/2018b
0.8.4		foss/2019a
0.8.8	-Python-3.7.4	foss/2019b
0.8.9	-Python-3.8.2	foss/2020a
0.8.11		foss/2021a
0.8.13		foss/2021b

BXH_XCEDE_TOOLS

A collection of data processing and image analysis tools for data in BXH or XCEDE format. This includes data format encapsulation/conversion, event-related analysis, QA tools, and more. These tools form the basis of the fBIRN QA procedures and are also distributed as part of the fBIRN Data Upload Scripts.

homepage: http://www.nitrc.org/projects/bxh_xcede_tools/

version	toolchain
1.11.1	system

byacc

Berkeley Yacc (byacc) is generally conceded to be the best yacc variant available. In contrast to bison, it is written to avoid dependencies upon a particular compiler.

homepage: http://invisible-island.net/byacc/byacc.html

version	toolchain
20160324	intel/2016a
20160606	foss/2016b, intel/2016b
20170709	GCCcore/6.4.0

byobu

Byobu is an elegant enhancement of the otherwise functional, plain, practical GNU Screen. Byobu includes an enhanced profile, configuration utilities, and system status notifications for the GNU screen window manager as well as the Tmux terminal multiplexer

homepage: https://byobu.org

version	toolchain
5.133	GCC/8.3.0

bzip2

bzip2 is a freely available, patent free, high-quality data compressor. It typically compresses files to within 10% to 15% of the best available techniques (the PPM family of statistical compressors), whilst being around twice as fast at compression and six times faster at decompression.

homepage: https://sourceware.org/bzip2

version	toolchain
1.0.6	GCC/4.8.1, GCC/4.8.2, GCC/4.8.4, GCC/4.9.2, GCC/4.9.3-2.25, GCC/5.4.0-2.26, GCCcore/4.9.3, GCCcore/5.4.0, GCCcore/6.3.0, GCCcore/6.4.0, GCCcore/7.2.0, GCCcore/7.3.0, GCCcore/8.2.0, GNU/4.9.3-2.25, foss/2016.04, foss/2016a, foss/2016b, gimkl/2.11.5, gimkl/2017a, intel/2016.02-GCC-4.9, intel/2016a, intel/2016b, iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25, system
1.0.8	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/12.2.0, GCCcore/8.3.0, GCCcore/9.3.0, system

C

c-ares - C3D - cadaver - CaDiCaL - CAFE5 - Caffe - cairo - cairomm - Calcam - Calendrical - Calib - CAMPARI - Cantera - canu - Canvas - CAP3 - CapnProto - captum - Cargo - Carma - carputils - Cartopy - CaSpER - CASTEP - CastXML - CAT-BAT - Catch2 - category_encoders - CatMAP - causallift - causalml - CaVEMan - CAVIAR - Cbc - CBLAS - ccache - CCfits - CCL - cclib - cctools - CD-HIT - CDAT - cdbfasta - CDBtools - cddlib - cDNA_Cupcake - CDO - cdo-bindings - cdsapi - cell2location - CellMix - CellRanger - CellRanger-ARC - CellRanger-ATAC - CellRank - CellTypist - Centrifuge - Cereal - CESM-deps - CFDEMcoupling - CFITSIO - cftime - CGAL - cget - Cgl - CGmapTools - CGNS - CharLS - CHARMM - charmm - CHASE - Check - check - CheckM - Cheetah - Chemaxon-Marvin - CheMPS2 - CHERAB - chewBBACA - chi2comb - Chimera - ChimPipe - Chromaprint - cicero - CIF2Cell - CIRCexplorer - CIRCexplorer2 - Circos - CIRI - CIRI-long - cisTEM - CITE-seq-Count - Clang - Clang-AOMP - Clang-Python-bindings - CLAPACK - CLEASE - CLHEP - CliMetLab - CLISP - ClonalFrameML - CLooG - CloudCompare - Clp - Clustal-Omega - ClustalW2 - Cluster-Buster - ClusterShell - CMake - CMAverse - CmdStanR - cmocean - CMSeq - CNT-ILP - CNVkit - CNVnator - Co-phylog - COBRApy - CoCoALib - CodAn - code-server - CODEX2 - Cogent - Coin - CoinUtils - colossalai - Commet - CompareM - Compress-Raw-Zlib - COMSOL - Con3F - CONCOCT - configparser - configurable-http-proxy - CONN - ConnectomeWorkbench - Control-FREEC - CoordgenLibs - Coot - core-counter - Coreutils - corner - CoSymLib - coverage - cowsay - CP2K - CPB - CPLEX - CPPE - CppUnit - cppy - cpu_features - cram - cramtools - CrayCCE - CrayGNU - CrayIntel - CrayPGI - crb-blast - CREST - CRF++ - CRISPR-DAV - CRISPResso2 - cromwell - CrossMap - CrossTalkZ - CRPropa - Crumble - cryoCARE - cryoDRGN - CryptoMiniSat - CrystFEL - CSB - CSBDeep - CSBLAST - cscope - csvkit - ctags - ctffind - CTPL - Cube - CubeGUI - CubeLib - CubeWriter - CUDA - CUDA-Samples - CUDAcompat - CUDAcore - cuDNN - Cufflinks - CUnit - CuPy - cURL - custodian - cutadapt - cuTENSOR - CVS - CVXOPT - CVXPY - CWIPI - cwltool - cxxopts - cysignals - Cython - cytoolz - Cytoscape - cytosim - cyvcf2

c-ares

c-ares is a C library for asynchronous DNS requests (including name resolves)

homepage: https://c-ares.org/

version	toolchain
1.17.2	GCCcore/10.3.0
1.18.1	GCCcore/11.2.0, GCCcore/11.3.0

C3D

Convert3D Medical Image Processing Tool

homepage: https://sourceforge.net/projects/c3d/

version	toolchain
1.0.0	system

cadaver

cadaver is a command-line WebDAV client for Unix.

homepage: http://www.webdav.org/cadaver/

version	toolchain
0.23.3	intel/2017a

CaDiCaL

CaDiCaL is a simplified satisfiability solver. The original goal of the development of CaDiCaL was to obtain a CDCL solver, which is easy to understand and change, while at the same time not being much slower than other state-of-the-art CDCL solvers.

homepage: https://github.com/arminbiere/cadical

version	toolchain
1.3.0	GCC/9.3.0

CAFE5

Software for Computational Analysis of gene Family Evolution The purpose of CAFE is to analyze changes in gene family size in a way that accounts for phylogenetic history and provides a statistical foundation for evolutionary inferences. The program uses a birth and death process to model gene gain and loss across a user-specified phylogenetic tree. The distribution of family sizes generated under this model can provide a basis for assessing the significance of the observed family size differences among taxa.

homepage: https://github.com/hahnlab/CAFE5

version	toolchain
5.0.0	GCC/10.2.0

Caffe

Caffe is a deep learning framework made with expression, speed, and modularity in mind. It is developed by the Berkeley Vision and Learning Center (BVLC) and community contributors.

homepage: https://github.com/BVLC/caffe

version	versionsuffix	toolchain
1.0	-CUDA-9.1.85-Python-2.7.14	intel/2017b
1.0	-Python-2.7.13	intel/2017a
1.0	-Python-2.7.14	intel/2017b
rc3	-CUDA-7.5.18-Python-2.7.11	foss/2016a

cairo

Cairo is a 2D graphics library with support for multiple output devices. Currently supported output targets include the X Window System (via both Xlib and XCB), Quartz, Win32, image buffers, PostScript, PDF, and SVG file output. Experimental backends include OpenGL, BeOS, OS/2, and DirectFB

homepage: https://cairographics.org

version	versionsuffix	toolchain
1.14.6		foss/2016a, foss/2016b, intel/2016a, intel/2016b
1.14.6	-GLib-2.48.0	foss/2016a, intel/2016a
1.14.8		intel/2017a
1.14.10		GCCcore/6.3.0, GCCcore/6.4.0, intel/2017b
1.14.12		GCCcore/6.4.0, GCCcore/7.3.0
1.16.0		GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.3.0
1.17.4		GCCcore/11.3.0, GCCcore/12.2.0

cairomm

The Cairomm package provides a C++ interface to Cairo.

homepage: http://cairographics.org

version	toolchain
1.12.2	GCCcore/6.4.0, GCCcore/7.3.0

Calcam

Calcam is a Python package providing tools for spatial calibration of cameras, i.e. determining the mapping between pixel coordinates in an image and real-world 3D sight lines & coordinates.

homepage: https://euratom-software.github.io/calcam

version	versionsuffix	toolchain
2.1.0	-Python-2.7.14	intel/2018a
2.1.0	-Python-3.6.4	intel/2018a

Calendrical

Calendrical module is for calendrical calculations.

homepage: https://www.funaba.org/code#calendrical

version	versionsuffix	toolchain
2.0.1	-Python-3.6.3	intel/2017b
2.0.2a	-Python-3.6.4	intel/2018a
2.0.2a	-Python-3.6.6	intel/2018b

Calib

Calib clusters paired-end reads using their barcodes and sequences. Calib is suitable for amplicon sequencing where a molecule is tagged, then PCR amplified with high depth, also known as Unique Molecule Identifier (UMI) sequencing.

homepage: https://github.com/vpc-ccg/calib

version	toolchain
0.3.4	GCC/9.3.0

CAMPARI

CAMPARI is a joint package for performing and analyzing molecular simulations, in particular of systems of biological relevance. It focuses on a wide availability of algorithms for (advanced) sampling and is capable of combining Monte Carlo and molecular dynamics in seamless fashion.

homepage: http://campari.sourceforge.net/V4/index.html

version	toolchain
4.0	intel/2020b

Cantera

Chemical kinetics, thermodynamics, and transport tool suite

homepage: https://github.com/Cantera/cantera

version	versionsuffix	toolchain
2.2.1	-Python-2.7.12	intel/2016b
2.3.0	-Python-2.7.12	foss/2016b, intel/2016b
2.3.0	-Python-2.7.13	intel/2017a
2.3.0	-Python-2.7.14	foss/2017b, intel/2017b, intel/2018a
2.4.0	-Python-2.7.14	intel/2018a

canu

Canu is a fork of the Celera Assembler designed for high-noise single-molecule sequencing

homepage: https://canu.readthedocs.io

version	versionsuffix	toolchain
1.4		foss/2016b
1.7		intel/2018a
1.8	-Perl-5.26.0	foss/2017b, intel/2017b
1.8	-Perl-5.28.0	foss/2018b
1.8	-Perl-5.28.1	GCCcore/8.2.0
1.9	-Java-11	GCCcore/8.3.0
2.1.1		GCCcore/10.2.0
2.1.1	-Java-11	GCCcore/9.3.0
2.2		GCCcore/10.3.0, GCCcore/11.2.0
2.2	-Java-11	GCCcore/10.3.0

Canvas

Copy number variant (CNV) calling from DNA sequencing data

homepage: https://github.com/Illumina/canvas

version	toolchain
1.39.0.1598	system

CAP3

CAP3 assembly program

homepage: http://seq.cs.iastate.edu/

version	toolchain
20071221-intel-x86	system
20071221-intel-x86_64	system
20071221-opteron	system

CapnProto

Cap’n Proto is an insanely fast data interchange format and capability-based RPC system.

homepage: https://capnproto.org

version	toolchain
0.6.1	GCCcore/6.4.0
0.7.0	GCCcore/7.3.0
0.8.0	GCCcore/9.3.0
0.9.1	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0
0.10.2	GCCcore/11.3.0

captum

Captum is a model interpretability and understanding library for PyTorch. Captum means comprehension in Latin and contains general purpose implementations of integrated gradients, saliency maps, smoothgrad, vargrad and others for PyTorch models. It has quick integration for models built with domain-specific libraries such as torchvision, torchtext, and others.

homepage: https://captum.ai/

version	versionsuffix	toolchain
0.5.0		foss/2022a
0.5.0	-CUDA-11.7.0	foss/2022a

Cargo

The Rust package manager

homepage: https://crates.io/

version	toolchain
0.13.0	foss/2016b

Carma

Carma - A molecular dynamics analysis program

homepage: http://utopia.duth.gr/~glykos/Carma.html

version	toolchain
2.01	foss/2019b

carputils

carputils is a Python framework for generating and running openCARP examples.

homepage: https://git.opencarp.org/openCARP/carputils

version	versionsuffix	toolchain
20200915	-Python-3.8.2	foss/2020a
20210513		foss/2020b

Cartopy

Cartopy is a Python package designed to make drawing maps for data analysis and visualisation easy.

homepage: https://scitools.org.uk/cartopy/docs/latest/

version	versionsuffix	toolchain
0.18.0	-Python-3.7.4	foss/2019b
0.18.0	-Python-3.8.2	foss/2020a
0.19.0.post1		foss/2020b, intel/2020b
0.20.0		foss/2021a
0.20.3		foss/2021b, foss/2022a

CaSpER

CaSpER is a signal processing approach for identification, visualization, and integrative analysis of focal and large-scale CNV events in multiscale resolution using either bulk or single-cell RNA sequencing data.

homepage: https://github.com/akdess/CaSpER

version	toolchain
2.0	foss/2019b

CASTEP

CASTEP is an electronic structure materials modelling code based on density functional theory (DFT), with functionality including geometry optimization molecular dynamics, phonons, NMR chemical shifts and much more.

homepage: http://www.castep.org

version	toolchain
21.1.1	CrayCCE/19.06, CrayGNU/19.06, foss/2019b, intel/2019b, iomkl/2019b

CastXML

CastXML is a C-family abstract syntax tree XML output tool.

homepage: https://github.com/CastXML/CastXML

version	toolchain
0.4.3	GCCcore/8.3.0
20160617	foss/2016a
20180806	foss/2018a

CAT-BAT

Tool for taxonomic classification of contigs and metagenome-assembled genomes (MAGs).

homepage: https://github.com/dutilh/CAT

version	toolchain
5.2.3	GCC/10.3.0

Catch2

A modern, C++-native, header-only, test framework for unit-tests, TDD and BDD - using C++11, C++14, C++17 and later (or C++03 on the Catch1.x branch)

homepage: https://github.com/catchorg/Catch2

version	toolchain
2.9.1	system
2.11.0	system
2.13.4	system

category_encoders

A set of scikit-learn-style transformers for encoding categorical variables into numeric by means of different techniques.

homepage: https://github.com/scikit-learn-contrib/category_encoders

version	toolchain
2.4.1	foss/2021b

CatMAP

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening.

homepage: https://catmap.readthedocs.io/

version	versionsuffix	toolchain
20170927	-Python-2.7.14	intel/2017b

causallift

CausalLift: Python package for Uplift Modeling in real-world business; applicable for both A/B testing and observational data

homepage: https://github.com/Minyus/causallift

version	versionsuffix	toolchain
1.0.6	-Python-3.8.2	foss/2020a

causalml

Causal ML: A Python Package for Uplift Modeling and Causal Inference with ML

homepage: https://github.com/uber/causalml

version	versionsuffix	toolchain
0.3.0-20180610	-Python-3.7.2	foss/2019a
0.8.0-20200909	-Python-3.8.2	foss/2020a

CaVEMan

SNV expectation maximisation based mutation calling algorithm aimed at detecting somatic mutations in paired (tumour/normal) cancer samples. Supports both bam and cram format via htslib

homepage: http://cancerit.github.io/CaVEMan/

version	toolchain
1.13.2	foss/2018a

CAVIAR

CAusal Variants Identication in Associated Regions. A statistical framework that quantifies the probability of each variant to be causal while allowing an arbitrary number of causal variants.

homepage: https://github.com/fhormoz/caviar

version	toolchain
2.2-20190419	foss/2019b

Cbc

Cbc (Coin-or branch and cut) is an open-source mixed integer linear programming solver written in C++. It can be used as a callable library or using a stand-alone executable.

homepage: https://github.com/coin-or/Cbc

version	toolchain
2.10.3	foss/2018b
2.10.5	foss/2020b, foss/2021a

CBLAS

C interface to the BLAS

homepage: https://www.netlib.org/blas/

version	toolchain
20110120	foss/2016b, intel/2019b, intel/2020a

ccache

Ccache (or “ccache”) is a compiler cache. It speeds up recompilation by caching previous compilations and detecting when the same compilation is being done again

homepage: https://ccache.dev/

version	versionsuffix	toolchain
3.2.5		system
3.3.1		system
3.3.3		system
3.3.4	-f90	system
3.7.11		system
4.2.1		system
4.6.1		GCCcore/11.2.0
4.6.3		system

CCfits

CCfits is an object oriented interface to the cfitsio library. It is designed to make the capabilities of cfitsio available to programmers working in C++.

homepage: https://heasarc.gsfc.nasa.gov/fitsio/CCfits/

version	toolchain
2.5	GCCcore/9.3.0

CCL

Clozure CL (often called CCL for short) is a free Common Lisp implementation with a long history. Some distinguishing features of the implementation include fast compilation speed, native threads, a precise, generational, compacting garbage collector, and a convenient foreign-function interface.

homepage: https://ccl.clozure.com/

version	toolchain
1.11.5	system
1.12	GCCcore/9.3.0
1.12.1	GCCcore/10.3.0

cclib

cclib is a Python library that provides parsers for computational chemistry log files. It also provides a platform to implement algorithms in a package-independent manner.

homepage: https://cclib.github.io/

version	versionsuffix	toolchain
1.5	-Python-3.5.2	foss/2016b
1.6.3	-Python-3.8.2	foss/2020a, intel/2020a
1.7.2		foss/2021b

cctools

The Cooperating Computing Tools (CCTools) help you to design and deploy scalable applications that run on hundreds or thousands of machines at once.

homepage: https://ccl.cse.nd.edu/

version	toolchain
7.0.22	GCCcore/8.3.0

CD-HIT

CD-HIT is a very widely used program for clustering and comparing protein or nucleotide sequences.

homepage: https://github.com/weizhongli/cdhit

version	versionsuffix	toolchain
4.6.4	-2015-0603	GNU/4.9.3-2.25
4.6.6		foss/2016b
4.6.8		foss/2018b, intel/2017a, intel/2018a
4.8.1		GCC/10.2.0, GCC/10.3.0, GCC/11.2.0, GCC/8.3.0, GCC/9.3.0, foss/2018b, iccifort/2019.5.281

CDAT

CDAT is a powerful and complete front-end to a rich set of visual-data exploration and analysis capabilities well suited for data analysis problems.

homepage: https://github.com/CDAT/cdat

version	versionsuffix	toolchain
8.2.1	-Python-3.8.2	foss/2020a

cdbfasta

Fasta file indexing and retrival tool

homepage: https://sourceforge.net/projects/cdbfasta

version	toolchain
0.99	GCC/8.3.0, iccifort/2019.1.144-GCC-8.2.0-2.31.1, iccifort/2019.5.281

CDBtools

CDB (Constant DataBase) indexing and retrieval tools for FASTA files

homepage: http://compbio.dfci.harvard.edu/tgi

version	toolchain
0.99	GCC/10.2.0

cddlib

An efficient implementation of the Double Description Method

homepage: https://github.com/cddlib/cddlib

version	toolchain
0.94i	GCCcore/8.2.0
0.94j	GCCcore/8.3.0

cDNA_Cupcake

cDNA_Cupcake is a miscellaneous collection of Python and R scripts used for analyzing sequencing data.

homepage: https://github.com/Magdoll/cDNA_Cupcake

version	versionsuffix	toolchain
5.8	-Python-2.7.14	intel/2018a
24.2.0	-Python-3.8.2	foss/2020a
26.0.0		foss/2021a

CDO

CDO is a collection of command line Operators to manipulate and analyse Climate and NWP model Data.

homepage: https://code.zmaw.de/projects/cdo

version	toolchain
1.7.2	intel/2016b
1.8.1	intel/2017a
1.9.1	intel/2017b
1.9.2	intel/2017b
1.9.5	intel/2018a, intel/2018b, iomkl/2018b
1.9.8	intel/2019b
1.9.10	gompi/2019b, gompi/2020b, gompi/2021a, iimpi/2021b
2.0.5	gompi/2021b
2.0.6	gompi/2022a
2.1.1	gompi/2021a

cdo-bindings

Python interface to CDO.

homepage: https://github.com/Try2Code/cdo-bindings

version	toolchain
1.5.7	foss/2021b

cdsapi

Climate Data Store API

homepage: https://pypi.org/project/cdsapi

version	versionsuffix	toolchain
0.1.4		foss/2019a
0.1.4	-Python-3.6.6	foss/2018b
0.3.0		GCCcore/9.3.0
0.5.1		GCCcore/11.3.0

cell2location

Comprehensive mapping of tissue cell architecture via integrated single cell and spatial transcriptomics (cell2location model)

homepage: https://github.com/BayraktarLab/cell2location/

version	toolchain
0.05-alpha	fosscuda/2020b

CellMix

A Comprehensive Toolbox for Gene Expression Deconvolution

homepage: http://web.cbio.uct.ac.za/~renaud/CRAN/web/CellMix

version	versionsuffix	toolchain
1.6.2	-R-3.5.1	foss/2018b

CellRanger

Cell Ranger is a set of analysis pipelines that process Chromium single-cell RNA-seq output to align reads, generate gene-cell matrices and perform clustering and gene expression analysis.

homepage: https://support.10xgenomics.com/single-cell-gene-expression/software/pipelines/latest/what-is-cell-ranger

version	toolchain
3.0.0	system
3.0.2	system
3.1.0	system
4.0.0	system
5.0.0	system
5.0.1	system
6.0.0	system
6.0.1	system
6.0.2	system
6.1.2	system
7.0.0	system

CellRanger-ARC

Cell Ranger ARC is a set of analysis pipelines that process Chromium Single Cell Multiome ATAC + Gene Expression sequencing data to generate a variety of analyses pertaining to gene expression, chromatin accessibility and their linkage. Furthermore, since the ATAC and gene expression measurements are on the very same cell, we are able to perform analyses that link chromatin accessibility and gene expression.

homepage: https://support.10xgenomics.com/single-cell-multiome-atac-gex/software/pipelines/latest/what-is-cell-ranger-arc

version	toolchain
1.0.1	system
2.0.0	system
2.0.1	system

CellRanger-ATAC

Cell Ranger ATAC is a set of analysis pipelines that process Chromium Single Cell ATAC data.

homepage: https://support.10xgenomics.com/single-cell-atac/software/pipelines/latest/what-is-cell-ranger-atac

version	toolchain
1.2.0	system
2.0.0	system
2.1.0	system

CellRank

CellRank is a toolkit to uncover cellular dynamics based on Markov state modeling of single-cell data. It contains two main modules: kernels compute cell-cell transition probabilities and estimators generate hypothesis based on these.

homepage: https://cellrank.readthedocs.io/en/stable/

version	toolchain
1.4.0	foss/2021a

CellTypist

A tool for semi-automatic cell type annotation

homepage: https://www.celltypist.org/

version	toolchain
1.0.0	foss/2021b

Centrifuge

Classifier for metagenomic sequences

homepage: https://ccb.jhu.edu/software/centrifuge

version	toolchain
1.0.3	foss/2018b
1.0.4	gompi/2020b, gompi/2021a
1.0.4-beta	foss/2018b, gompi/2020a

Cereal

cereal is a header-only C++11 serialization library. cereal takes arbitrary data types and reversibly turns them into different representations, such as compact binary encodings, XML, or JSON. cereal was designed to be fast, light-weight, and easy to extend - it has no external dependencies and can be easily bundled with other code or used standalone.

homepage: https://uscilab.github.io/cereal/

version	toolchain
1.3.0	system

CESM-deps

CESM is a fully-coupled, community, global climate model that provides state-of-the-art computer simulations of the Earth’s past, present, and future climate states.

homepage: https://www.cesm.ucar.edu/models/cesm2/

version	toolchain
2	foss/2018b, foss/2021b, intel/2018b, iomkl/2018b

CFDEMcoupling

CFDEMcoupling is an open source CFD-DEM engine. It provides the possibility to couple the DEM engine LIGGGHTS to a CFD framework.

homepage: https://www.cfdem.com/cfdemrcoupling-open-source-cfd-dem-framework

version	toolchain
3.8.0	foss/2018a

CFITSIO

CFITSIO is a library of C and Fortran subroutines for reading and writing data files in FITS (Flexible Image Transport System) data format.

homepage: https://heasarc.gsfc.nasa.gov/fitsio/

version	toolchain
3.38	foss/2016a, intel/2016a
3.41	GCCcore/5.4.0, GCCcore/6.3.0, intel/2016b
3.42	GCCcore/6.4.0, intel/2017b
3.45	GCCcore/7.3.0, intel/2018b
3.47	GCCcore/8.2.0, GCCcore/8.3.0
3.48	GCCcore/9.3.0
3.49	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0

cftime

Time-handling functionality from netcdf4-python

homepage: https://github.com/Unidata/cftime

version	versionsuffix	toolchain
1.0.0	-Python-3.6.4	intel/2018a
1.0.0b1	-Python-3.6.2	foss/2017b
1.0.1	-Python-2.7.15	intel/2018b
1.0.1	-Python-3.6.6	foss/2018b, intel/2018b

CGAL

The goal of the CGAL Open Source Project is to provide easy access to efficient and reliable geometric algorithms in the form of a C++ library.

homepage: https://www.cgal.org/

version	versionsuffix	toolchain
4.8	-Python-2.7.11	foss/2016a, intel/2016a
4.8.1		foss/2016b, intel/2016b
4.8.1	-Python-2.7.12	foss/2016b, intel/2016b
4.9	-Python-2.7.12	intel/2016b
4.9	-Python-2.7.13	intel/2017a
4.11	-Python-2.7.13	intel/2017a
4.11	-Python-2.7.14	foss/2017b, intel/2017b
4.11	-Python-3.6.3	foss/2017b, intel/2017b
4.11.1	-Python-2.7.14	foss/2018a, intel/2018a
4.11.1	-Python-2.7.15	foss/2018b
4.11.1	-Python-3.6.4	foss/2018a
4.11.1	-Python-3.6.6	foss/2018b
4.14	-Python-3.7.2	foss/2019a, intel/2019a
4.14.1	-Python-3.7.4	foss/2019b, intel/2019b
4.14.3		gompi/2021a, gompi/2021b, gompi/2022a, iimpi/2021a
4.14.3	-Python-3.8.2	gompi/2020a, iimpi/2020a
5.2		gompi/2020b

cget

Cmake package retrieval. This can be used to download and install cmake packages

homepage: https://cget.readthedocs.io/en/latest/index.html

version	versionsuffix	toolchain
0.1.6	-Python-3.6.4	foss/2018a

Cgl

The COIN-OR Cut Generation Library (Cgl) is a collection of cut generators that can be used with other COIN-OR packages that make use of cuts, such as, among others, the linear solver Clp or the mixed integer linear programming solvers Cbc or BCP. Cgl uses the abstract class OsiSolverInterface (see Osi) to use or communicate with a solver. It does not directly call a solver.

homepage: https://github.com/coin-or/Cgl

version	toolchain
0.60.2	foss/2018b
0.60.3	foss/2020b, foss/2021a

CGmapTools

Command-line Toolset for Bisulfite Sequencing Data Analysis

homepage: https://cgmaptools.github.io/

version	toolchain
0.1.2	intel/2019b

CGNS

The CGNS system is designed to facilitate the exchange of data between sites and applications, and to help stabilize the archiving of aerodynamic data.

homepage: https://cgns.github.io/

version	toolchain
3.3.1	foss/2016b
4.1.0	intelcuda/2019b

CharLS

CharLS is a C++ implementation of the JPEG-LS standard for lossless and near-lossless image compression and decompression. JPEG-LS is a low-complexity image compression standard that matches JPEG 2000 compression ratios.

homepage: https://github.com/team-charls/charls

version	toolchain
2.0.0	GCCcore/6.4.0, GCCcore/7.3.0
2.1.0	GCCcore/8.2.0, GCCcore/8.3.0
2.2.0	GCCcore/10.2.0
2.3.4	GCCcore/10.3.0
2.4.1	GCCcore/11.3.0

CHARMM

CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a versatile and widely used molecular simulation program with broad application to many-particle systems.

homepage: http://www.charmm.org

version	toolchain
37b2	foss/2016a, intel/2016a

charmm

CHARMM (Chemistry at HARvard Macromolecular Mechanics) is a versatile and widely used molecular simulation program with broad application to many-particle systems. charmm provides all the functionality of CHARMM except its performance enhancements.

homepage: http://www.charmm.org

version	toolchain
43b2	foss/2017b, intel/2017b

CHASE

Case-control HAplotype Sharing analyses. Haplotype sharing analyses for genome-wide association studies.

homepage: http://people.duke.edu/~asallen/Software.html

version	toolchain
20130626	system

Check

Check is a unit testing framework for C. It features a simple interface for defining unit tests, putting little in the way of the developer. Tests are run in a separate address space, so both assertion failures and code errors that cause segmentation faults or other signals can be caught. Test results are reportable in the following: Subunit, TAP, XML, and a generic logging format.

homepage: https://libcheck.github.io/check/

version	toolchain
0.15.2	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/9.3.0

check

Check is a unit testing framework for C. It features a simple interface for defining unit tests, putting little in the way of the developer. Tests are run in a separate address space, so both assertion failures and code errors that cause segmentation faults or other signals can be caught. Test results are reportable in the following: Subunit, TAP, XML, and a generic logging format.

homepage: https://libcheck.github.io/check/

version	toolchain
0.12.0	GCCcore/6.4.0

CheckM

CheckM provides a set of tools for assessing the quality of genomes recovered from isolates, single cells, or metagenomes.

homepage: https://github.com/Ecogenomics/CheckM

version	versionsuffix	toolchain
1.0.13	-Python-2.7.14	foss/2017b, intel/2017b
1.0.13	-Python-2.7.15	foss/2018b
1.0.13	-Python-3.6.3	foss/2017b, intel/2017b
1.0.18	-Python-2.7.15	foss/2019a
1.0.18	-Python-2.7.18	foss/2020b
1.1.2	-Python-3.7.4	foss/2019b, intel/2019b
1.1.3		foss/2021a, foss/2021b
1.1.3	-Python-3.8.2	intel/2020a

Cheetah

Cheetah is an open source template engine and code generation tool.

homepage: https://cheetahtemplate.org

version	versionsuffix	toolchain
2.4.4	-Python-2.7.15	intel/2018b

Chemaxon-Marvin

Marvin suite is a chemically intelligent desktop toolkit built to help you draw, edit, publish, render, import and export your chemical structures and as well as allowing you to convert between various chemical and graphical file formats. It is free for individual, academic and non-commercial use.

homepage: https://chemaxon.com/products/marvin

version	toolchain
21.14	system

CheMPS2

CheMPS2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry.

homepage: https://github.com/SebWouters/CheMPS2

version	toolchain
1.6	intel/2016a
1.7-rc2	intel/2016a
1.7.1	intel/2016a
1.7.2	intel/2016a
1.8	intel/2016b
1.8.8	intel/2018b
1.8.9	foss/2018b, foss/2019a, intel/2018b, intel/2019a, intel/2019b
1.8.11	foss/2021b
1.8.12	foss/2022a

CHERAB

CHERAB is a python library for forward modelling diagnostics based on spectroscopic plasma emission.

homepage: https://cherab.github.io/documentation/index.html

version	versionsuffix	toolchain
1.2.0	-Python-3.6.6	intel/2018b
1.3.0		foss/2020b, intel/2020b

chewBBACA

chewBBACA stands for “BSR-Based Allele Calling Algorithm”. chewBBACA is a comprehensive pipeline including a set of functions for the creation and validation of whole genome and core genome MultiLocus Sequence Typing (wg/cgMLST) schemas, providing an allele calling algorithm based on Blast Score Ratio that can be run in multiprocessor settings and a set of functions to visualize and validate allele variation in the loci.

homepage: https://github.com/B-UMMI/chewBBACA

version	versionsuffix	toolchain
2.5.5	-Python-3.8.2	intel/2020a

chi2comb

Cumulative density function of linear combinations of independent chi-square random variables and a standard Normal distribution. As of now, this is basically a repackaging of the davies function implemented in the CompQuadForm library for R.

homepage: https://github.com/limix/chi2comb

version	toolchain
0.0.3	GCCcore/7.3.0

Chimera

UCSF Chimera is a highly extensible program for interactive visualization and analysis of molecular structures and related data, including density maps, supramolecular assemblies, sequence alignments, docking results, trajectories, and conformational ensembles.

homepage: https://www.cgl.ucsf.edu/chimera/

version	versionsuffix	toolchain
1.10	-linux_x86_64	system
1.16	-linux_x86_64	system

ChimPipe

ChimPipe is a computational method for the detection of novel transcription-induced chimeric transcripts and fusion genes from Illumina Paired-End RNA-seq data. It combines junction spanning and paired-end read information to accurately detect chimeric splice junctions at base-pair resolution.

homepage: https://chimpipe.readthedocs.org/

version	versionsuffix	toolchain
0.9.5		foss/2018b
0.9.5	-Python-2.7.12	foss/2016b

Chromaprint

Chromaprint is the core component of the AcoustID project. It’s a client-side library that implements a custom algorithm for extracting fingerprints from any audio source.

homepage: https://acoustid.org/chromaprint

version	toolchain
1.4.3	GCCcore/8.2.0

cicero

Cicero is an R package that provides tools for analyzing single-cell chromatin accessibility experiments.

homepage: https://cole-trapnell-lab.github.io/cicero-release

version	versionsuffix	toolchain
1.3.4.11	-R-4.0.3-Monocle3	foss/2020b

CIF2Cell

CIF2Cell is a tool to generate the geometrical setup for various electronic structure codes from a CIF (Crystallographic Information Framework) file. The program currently supports output for a number of popular electronic structure programs, including ABINIT, ASE, CASTEP, CP2K, CPMD, CRYSTAL09, Elk, EMTO, Exciting, Fleur, FHI-aims, Hutsepot, MOPAC, Quantum Espresso, RSPt, Siesta, SPR-KKR, VASP. Also exports some related formats like .coo, .cfg and .xyz-files.

homepage: https://sourceforge.net/projects/cif2cell

version	versionsuffix	toolchain
1.2.10	-Python-2.7.16	GCCcore/8.3.0

CIRCexplorer

CIRCexplorer2 is a comprehensive and integrative circular RNA analysis toolset.

homepage: https://circexplorer2.readthedocs.io/

version	versionsuffix	toolchain
1.1.10	-Python-2.7.14	intel/2017b

CIRCexplorer2

CIRCexplorer2 is a comprehensive and integrative circular RNA analysis toolset.

homepage: http://circexplorer2.readthedocs.io/

version	versionsuffix	toolchain
2.3.2	-Python-2.7.14	intel/2017b
2.3.3	-Python-2.7.14	intel/2018a
2.3.8	-Python-2.7.18	foss/2020b

Circos

Circos is a software package for visualizing data and information. It visualizes data in a circular layout - this makes Circos ideal for exploring relationships between objects or positions.

homepage: http://www.circos.ca/

version	versionsuffix	toolchain
0.69-5	-Perl-5.24.0	foss/2016b
0.69-6	-Perl-5.26.1	GCCcore/6.4.0
0.69-6	-Perl-5.28.0	GCCcore/7.3.0
0.69-9		GCCcore/11.3.0, GCCcore/9.3.0

CIRI

CircRNA Identifier. A de novo circular RNA identification tool

homepage: https://sourceforge.net/projects/ciri/

version	versionsuffix	toolchain
2.0.6	-Perl-5.26.0	intel/2017b

CIRI-long

Circular RNA Identification for Long-Reads Nanopore Sequencing Data

homepage: https://github.com/bioinfo-biols/CIRI-long/

version	toolchain
1.0.2	foss/2020b

cisTEM

cisTEM is user-friendly software to process cryo-EM images of macromolecular complexes and obtain high-resolution 3D reconstructions from them.

homepage: https://cistem.org/

version	toolchain
1.0.0-beta	foss/2018a

CITE-seq-Count

A python package that allows to count antibody TAGS from a CITE-seq and/or cell hashing experiment.

homepage: https://github.com/Hoohm/CITE-seq-Count

version	versionsuffix	toolchain
1.4.3	-Python-3.6.6	foss/2018b
1.4.3	-Python-3.7.4	foss/2019b

Clang

C, C++, Objective-C compiler, based on LLVM. Does not include C++ standard library – use libstdc++ from GCC.

homepage: https://clang.llvm.org/

version	versionsuffix	toolchain
3.3		GCC/4.8.1
3.4		GCC/4.8.2
3.4.1		GCC/4.8.2
3.4.2		GCC/4.8.2
3.6.0		GCC/4.9.2
3.6.1		GCC/4.9.2
3.7.0		GNU/4.9.3-2.25
3.7.1		GCC/4.9.3-2.25, foss/2016a
3.8.0		GCC/4.9.3-2.25
3.8.1		GCC/5.4.0-2.26, foss/2016b
5.0.0		GCC/6.4.0-2.28
5.0.1		GCC/6.4.0-2.28
6.0.1		GCC/6.4.0-2.28, GCC/7.3.0-2.30
7.0.0		GCC/6.4.0-2.28
7.0.1		GCC/7.3.0-2.30
8.0.0		GCCcore/8.2.0
8.0.0	-CUDA-10.1.105	GCCcore/8.2.0
8.0.1	-CUDA-10.1.105	GCC/8.2.0-2.31.1
8.0.1	-CUDA-10.1.243	GCC/8.3.0
9.0.1		GCCcore/8.3.0, GCCcore/9.3.0
9.0.1	-CUDA-10.1.243	GCC/8.3.0
10.0.0		GCCcore/8.3.0, GCCcore/9.3.0
10.0.1		GCCcore/9.3.0
11.0.0		GCCcore/9.3.0
11.0.1		GCCcore/10.2.0, gcccuda/2020b
12.0.1		GCCcore/10.3.0, GCCcore/11.2.0
12.0.1	-CUDA-11.3.1	GCCcore/10.3.0
13.0.1		GCCcore/11.2.0, GCCcore/11.3.0
13.0.1	-CUDA-11.4.1	GCCcore/11.2.0

Clang-AOMP

AOMP is an open source Clang/LLVM based compiler with added support for the OpenMP® API on Radeon™ GPUs.

homepage: https://github.com/RadeonOpenCompute/llvm-project

version	toolchain
4.5.0	GCCcore/11.2.0

Clang-Python-bindings

Python bindings for libclang

homepage: https://clang.llvm.org

version	versionsuffix	toolchain
8.0.0	-Python-2.7.15	GCCcore/8.2.0
10.0.1	-Python-3.8.2	GCCcore/9.3.0
13.0.1		GCCcore/11.2.0, GCCcore/11.3.0

CLAPACK

C version of LAPACK

homepage: http://www.netlib.org/clapack

version	toolchain
3.2.1	GCC/6.4.0-2.28, iccifort/2017.4.196-GCC-6.4.0-2.28, intel/2017a

CLEASE

CLuster Expansion in Atomic Simulation Environment (CLEASE) is a package that automates the cumbersome setup and construction procedure of cluster expansion (CE). It provides a comprehensive list of tools for specifying parameters for CE, generating training structures, fitting effective cluster interaction (ECI) values and running Monte Carlo simulations.

homepage: https://gitlab.com/computationalmaterials/clease

version	toolchain
0.10.6	intel/2021a

CLHEP

The CLHEP project is intended to be a set of HEP-specific foundation and utility classes such as random generators, physics vectors, geometry and linear algebra. CLHEP is structured in a set of packages independent of any external package.

homepage: https://proj-clhep.web.cern.ch/proj-clhep/

version	toolchain
2.1.1.0	intel/2016a
2.1.3.1	intel/2016a
2.2.0.8	intel/2016a
2.3.1.1	intel/2016a
2.3.4.3	foss/2017b, intel/2017b
2.4.0.0	intel/2017b
2.4.1.0	foss/2017b, foss/2018b, intel/2017b, intel/2018b
2.4.1.3	foss/2019b, foss/2020a
2.4.4.0	GCC/10.2.0, GCC/11.2.0
2.4.5.1	GCC/11.2.0

CliMetLab

CliMetLab is a Python package aiming at simplifying access to climate and meteorological datasets, allowing users to focus on science instead of technical issues such as data access and data formats. It is mostly intended to be used in Jupyter notebooks, and be interoperable with all popular data analytic packages, such as Numpy, Pandas, Xarray, SciPy, Matplotlib, etc. as well as machine learning frameworks, such as Tensorflow, Keras or PyTorch.

homepage: https://climetlab.readthedocs.io/

version	toolchain
0.12.6	foss/2022a

CLISP

Common Lisp is a high-level, general-purpose, object-oriented, dynamic, functional programming language.

homepage: https://clisp.sourceforge.io/

version	toolchain
2.49	GCCcore/6.4.0, GCCcore/9.3.0

ClonalFrameML

Efficient Inference of Recombination in Whole Bacterial Genomes

homepage: https://github.com/xavierdidelot/ClonalFrameML

version	toolchain
1.11	foss/2016b

CLooG

CLooG is a free software and library to generate code for scanning Z-polyhedra. That is, it finds a code (e.g. in C, FORTRAN…) that reaches each integral point of one or more parameterized polyhedra. CLooG has been originally written to solve the code generation problem for optimizing compilers based on the polytope model. Nevertheless it is used now in various area e.g. to build control automata for high-level synthesis or to find the best polynomial approximation of a function. CLooG may help in any situation where scanning polyhedra matters. While the user has full control on generated code quality, CLooG is designed to avoid control overhead and to produce a very effective code.

homepage: http://www.bastoul.net/cloog/index.php

version	toolchain
0.18.1	GCC/4.8.2

CloudCompare

3D point cloud and mesh processing software

homepage: https://www.cloudcompare.org/

version	toolchain
2.12.4	foss/2021b

Clp

Clp (Coin-or linear programming) is an open-source linear programming solver. It is primarily meant to be used as a callable library, but a basic, stand-alone executable version is also available.

homepage: https://github.com/coin-or/Clp

version	toolchain
1.17.3	foss/2018b
1.17.6	foss/2020b, foss/2021a
1.17.7	foss/2021b

Clustal-Omega

Clustal Omega is a multiple sequence alignment program for proteins. It produces biologically meaningful multiple sequence alignments of divergent sequences. Evolutionary relationships can be seen via viewing Cladograms or Phylograms

homepage: http://www.clustal.org/omega/

version	toolchain
1.2.0	foss/2016b
1.2.4	GCC/10.3.0, GCC/8.3.0, foss/2018b, intel-compilers/2021.2.0, intel/2018a, intel/2018b

ClustalW2

ClustalW2 is a general purpose multiple sequence alignment program for DNA or proteins.

homepage: https://www.ebi.ac.uk/Tools/msa/clustalw2/

version	toolchain
2.1	GCC/10.3.0, GCC/11.2.0, foss/2016b, foss/2018b, foss/2021a, iccifort/2019.1.144-GCC-8.2.0-2.31.1, intel/2017b, intel/2018b, intel/2020a

Cluster-Buster

Cluster-Buster: Finding dense clusters of motifs in DNA sequences

homepage: https://github.com/weng-lab/cluster-buster/

version	toolchain
20160106	intel/2016a

ClusterShell

ClusterShell is an event-driven open source Python library, designed to run local or distant commands in parallel on server farms or on large Linux clusters.

homepage: https://cea-hpc.github.io/clustershell/

version	toolchain
1.7.3	system

CMake

CMake, the cross-platform, open-source build system. CMake is a family of tools designed to build, test and package software.

homepage: https://www.cmake.org

version	toolchain
2.8.11	GCC/4.8.1
2.8.12	GCC/4.8.1, GCC/4.8.2
3.0.0	GCC/4.8.3
3.1.0	GCC/4.9.2
3.1.3	GCC/4.9.2, system
3.2.1	GCC/4.9.2, GNU/4.9.3-2.25
3.3.1	system
3.3.2	GNU/4.9.3-2.25, gimkl/2.11.5
3.4.1	GCC/4.9.2, GCCcore/4.9.3, foss/2016a, intel/2016.02-GCC-4.9, intel/2016a, iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25
3.4.3	foss/2016a, foss/2016b, gimkl/2.11.5, intel/2016a
3.5.1	intel/2016a
3.5.2	GCC/4.9.3-2.25, foss/2016a, foss/2016b, intel/2016a, intel/2016b, system
3.6.1	GCC/5.4.0-2.26, GCCcore/4.9.3, foss/2016b, intel/2016b, system
3.6.2	GCCcore/5.4.0, foss/2016b, intel/2016b
3.7.1	GCCcore/5.4.0, GCCcore/6.2.0, foss/2016b, intel/2016b
3.7.2	GCCcore/6.3.0, foss/2016b, intel/2016b
3.8.0	GCCcore/6.3.0
3.8.1	GCCcore/6.3.0
3.8.2	GCCcore/6.3.0
3.9.1	GCCcore/6.3.0, GCCcore/6.4.0, system
3.9.4	GCCcore/6.4.0
3.9.5	GCCcore/6.4.0
3.9.6	system
3.10.0	GCCcore/6.4.0
3.10.1	GCCcore/6.4.0
3.10.2	GCCcore/6.4.0, GCCcore/7.2.0
3.10.3	GCCcore/6.4.0, GCCcore/7.2.0
3.11.1	GCCcore/6.4.0
3.11.4	GCCcore/6.4.0, GCCcore/7.3.0
3.12.1	GCCcore/6.4.0, GCCcore/7.2.0, GCCcore/7.3.0, system
3.13.3	GCCcore/8.2.0
3.15.1	system
3.15.3	GCCcore/8.3.0
3.16.4	GCCcore/9.3.0
3.18.4	GCCcore/10.2.0, system
3.20.1	GCCcore/10.2.0, GCCcore/10.3.0
3.21.1	GCCcore/11.2.0
3.22.1	GCCcore/11.2.0
3.23.1	GCCcore/11.3.0
3.24.3	GCCcore/11.3.0, GCCcore/12.2.0

CMAverse

The R package CMAverse provides a suite of functions for reproducible causal mediation analysis including cmdag for DAG visualization, cmest for statistical modeling and cmsens for sensitivity analysis.

homepage: https://bs1125.github.io/CMAverse/

version	toolchain
20220112	foss/2021b

CmdStanR

CmdStanR is a lightweight interface to Stan for R users

homepage: https://mc-stan.org/cmdstanr

version	versionsuffix	toolchain
0.5.0	-R-4.1.2	foss/2021b

cmocean

This package contains colormaps for commonly-used oceanographic variables. Most of the colormaps started from matplotlib colormaps, but have now been adjusted using the viscm tool to be perceptually uniform.

homepage: https://github.com/matplotlib/cmocean

version	toolchain
2.0	foss/2022a

CMSeq

CMSeq is a set of commands to provide an interface to .bam files for coverage and sequence consensus.

homepage: https://github.com/SegataLab/cmseq/

version	versionsuffix	toolchain
1.0.3	-Python-3.8.2	foss/2020a

CNT-ILP

Integer Linear Program for the Copy-Number Tree Problem

homepage: https://compbio.cs.brown.edu/projects/cnt-ilp/

version	toolchain
20171031	GCC/8.2.0-2.31.1

CNVkit

A command-line toolkit and Python library for detecting copy number variants and alterations genome-wide from high-throughput sequencing.

homepage: https://github.com/etal/cnvkit

version	versionsuffix	toolchain
0.9.2	-Python-2.7.14	intel/2017b
0.9.3	-Python-3.6.4	intel/2018a
0.9.6	-Python-3.7.2-R-3.6.0	foss/2019a
0.9.8	-R-4.0.3	foss/2020b

CNVnator

a tool for CNV discovery and genotyping from depth-of-coverage by mapped reads

homepage: https://github.com/abyzovlab/CNVnator

version	toolchain
0.3.3	foss/2016b

Co-phylog

Co-phylog: an assembly-free phylogenomic approach for closely related organisms H Yi, L Jin Nucleic acids research 41 (7), e75-e75

homepage: https://github.com/yhg926/co-phylog

version	toolchain
20201012	GCC/7.3.0-2.30

COBRApy

COBRApy is a package for constraint-based modeling of metabolic networks.

homepage: https://opencobra.github.io/cobrapy/

version	toolchain
0.26.0	foss/2021a

CoCoALib

CoCoALib is a free GPL3 C++ library for doing Computations in Commutative Algebra.

homepage: http://cocoa.dima.unige.it/cocoalib

version	toolchain
0.99601	GCC/8.2.0-2.31.1
0.99700	GCC/8.3.0

CodAn

CodAn (Coding sequence Annotator) is a computational tool designed to characterize the CDS and UTR regions on transcripts from any Eukaryote species.

homepage: https://github.com/pedronachtigall/CodAn

version	toolchain
1.2	foss/2021b

code-server

Run VS Code on any machine anywhere and access it in the browser.

homepage: https://github.com/cdr/code-server

version	toolchain
3.7.3	system

CODEX2

Full-spectrum copy number variation detection by high-throughput DNA sequencing

homepage: https://github.com/yuchaojiang/CODEX2

version	versionsuffix	toolchain
20180227	-R-3.4.3	intel/2017b

Cogent

Cogent is a tool for reconstructing the coding genome using high-quality full-length transcriptome sequences. It is designed to be used on Iso-Seq data and in cases where there is no reference genome or the ref genome is highly incomplete.

homepage: https://github.com/Magdoll/Cogent

version	toolchain
8.0.0	foss/2021a

Coin

Coin is an OpenGL-based, 3D graphics library that has its roots in the Open Inventor 2.1 API, which Coin still is compatible with.

homepage: https://coin3d.github.io

version	toolchain
4.0.0	GCC/10.3.0, GCC/11.2.0

CoinUtils

CoinUtils (Coin-OR Utilities) is an open-source collection of classes and functions that are generally useful to more than one COIN-OR project.

homepage: https://github.com/coin-or/CoinUtils

version	toolchain
2.11.3	GCCcore/7.3.0, foss/2018b
2.11.4	GCC/10.3.0, GCCcore/10.2.0
2.11.6	GCC/11.2.0

colossalai

Colossal-AI: A Unified Deep Learning System for Big Model Era

homepage: https://colossalai.org/

version	versionsuffix	toolchain
0.1.8	-CUDA-11.3.1	foss/2021a

Commet

COMMET (“COmpare Multiple METagenomes”) provides a global similarity overview between all datasets of a large metagenomic project.

homepage: https://colibread.inria.fr/software/commet/

version	versionsuffix	toolchain
20150415	-Python-2.7.11	foss/2016a

CompareM

A toolbox for comparative genomics.

homepage: https://github.com/dparks1134/CompareM

version	versionsuffix	toolchain
0.0.23	-Python-2.7.15	foss/2018b
0.1.2		foss/2021b

Compress-Raw-Zlib

Low-Level Interface to zlib or zlib-ng compression library

homepage: https://metacpan.org/pod/Compress::Raw::Zlib

version	toolchain
2.202	GCCcore/11.3.0

COMSOL

COMSOL Multiphysics is a general-purpose software platform, based on advanced numerical methods, for modeling and simulating physics-based problems.

homepage: https://www.comsol.com

version	toolchain
5.4.0.225	system

Con3F

Con3F is a Python package to read, manipulate and convert force field files

homepage: https://github.ugent.be/CMM/con3f

version	versionsuffix	toolchain
1.0-20190329	-Python-3.7.2	intel/2019a

CONCOCT

Clustering cONtigs with COverage and ComposiTion (CONCOCT) is a program for unsupervised binning of metagenomic contigs by using nucleotide composition, coverage data in multiple samples and linkage data from paired end reads.

homepage: https://concoct.readthedocs.io

version	versionsuffix	toolchain
1.0.0	-Python-2.7.14	foss/2017b
1.0.0	-Python-2.7.15	foss/2018b
1.0.0	-Python-3.6.3	foss/2017b
1.1.0	-Python-2.7.15	foss/2019a
1.1.0	-Python-2.7.18	foss/2020b

configparser

configparser is a Python library that brings the updated configparser from Python 3.5 to Python 2.6-3.5

homepage: https://docs.python.org/3/library/configparser.html

version	versionsuffix	toolchain
3.5.0	-Python-2.7.11	foss/2016a
3.5.0	-Python-2.7.12	foss/2016b, intel/2016b
3.5.0	-Python-3.5.2	intel/2016b
3.5.0	-Python-3.6.3	intel/2017b

configurable-http-proxy

HTTP proxy for node.js including a REST API for updating the routing table. Developed as a part of the Jupyter Hub multi-user server.

homepage: https://github.com/jupyterhub/configurable-http-proxy

version	versionsuffix	toolchain
1.3.0	-nodejs-4.4.7	foss/2016a
3.1.1	-nodejs-8.9.4	foss/2017a
4.2.1		GCCcore/10.2.0
4.4.0		GCCcore/10.3.0

CONN

CONN is an open-source Matlab/SPM-based cross-platform software for the computation, display, and analysis of functional connectivity Magnetic Resonance Imaging (fcMRI). CONN is used to analyze resting state data (rsfMRI) as well as task-related designs.

homepage: https://web.conn-toolbox.org/home

version	versionsuffix	toolchain
21a	-MATLAB-2021a	system

ConnectomeWorkbench

Connectome Workbench is an open source, freely available visualization and discovery tool used to map neuroimaging data, especially data generated by the Human Connectome Project.

homepage: https://www.humanconnectome.org/software/connectome-workbench

version	versionsuffix	toolchain
1.2.2		system
1.3.2		GCCcore/8.2.0, foss/2017b, intel/2017b
1.4.2	-rh_linux64	system
1.5.0		GCCcore/10.3.0

Control-FREEC

Copy number and genotype annotation from whole genome and whole exome sequencing data.

homepage: https://github.com/BoevaLab/FREEC

version	toolchain
11.5	GCC/7.3.0-2.30, GCC/8.2.0-2.31.1
11.6	GCC/10.2.0

CoordgenLibs

Schrodinger-developed 2D Coordinate Generation

homepage: https://github.com/schrodinger/coordgenlibs

version	toolchain
1.3.2	gompi/2019a, iimpi/2019a
3.0.1	gompi/2019b, gompi/2021a, gompi/2022a, iimpi/2020a

Coot

Coot is for macromolecular model building, model completion and validation, particularly suitable for protein modelling using X-ray data.

homepage: http://www2.mrc-lmb.cam.ac.uk/Personal/pemsley/coot

version	versionsuffix	toolchain
0.8.1	-binary-Linux-x86_64-rhel-6-python-gtk2	system

core-counter

Tool to check available cores and OMP threads

homepage: https://github.com/gjbex/core-counter

version	toolchain
1.1.1	system

Coreutils

The GNU Core Utilities are the basic file, shell and text manipulation utilities of the GNU operating system. These are the core utilities which are expected to exist on every operating system.

homepage: https://www.gnu.org/software/coreutils/

version	toolchain
8.23	GCC/4.9.2
8.27	GCCcore/5.4.0
8.29	GCCcore/6.4.0
8.32	GCCcore/8.3.0, GCCcore/9.3.0
9.0	GCCcore/11.2.0

corner

Make some beautiful corner plots.

homepage: https://corner.readthedocs.io/en/latest/

version	versionsuffix	toolchain
2.0.1	-Python-2.7.15	foss/2019a
2.0.1	-Python-3.7.2	foss/2019a

CoSymLib

Cosymlib is a python library for computing continuous symmetry & shape measures (CSMs & CShMs). Although its main aim is to provide simple and ready-to-use tools for the analysis of the symmetry & shape of molecules, many of the procedures contained in cosymlib can be easily applied to any finite geometrical object defined by a set of vertices or a by mass distribution function.

homepage: https://cosymlib.readthedocs.io

version	toolchain
0.10.9	foss/2022a

coverage

Coverage.py is a tool for measuring code coverage of Python programs. It monitors your program, noting which parts of the code have been executed, then analyzes the source to identify code that could have been executed but was not.

homepage: https://coverage.readthedocs.io

version	versionsuffix	toolchain
4.5.1	-Python-2.7.14	intel/2017b
5.5		GCCcore/10.2.0, GCCcore/10.3.0

cowsay

Configurable talking characters in ASCII art

homepage: https://github.com/tnalpgge/rank-amateur-cowsay

version	toolchain
3.04	system

CP2K

CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials.

homepage: https://www.cp2k.org/

version	versionsuffix	toolchain
3.0		intel/2016a, intel/2016b, intel/2017b, intel/2018a
3.0	-psmp	intel/2016b
4.1		intel/2016b
4.1	-psmp	foss/2016b
5.1		foss/2018a, foss/2020a, foss/2020b, intel/2017b, intel/2018a, intel/2020a
6.1		foss/2019a, intel/2018a, intel/2020a
7.1		foss/2020a, foss/2020b, intel/2020a, intel/2020b
7.1	-psmp	foss/2020b
8.1		foss/2020b
8.2		foss/2021a, intel/2021a

CPB

CPB is a novel two-step Pearson correlation based biclustering approach to mine genes that are co-regulated with a given reference gene in order to discover genes that function in a common biological process. In the first step, the algorithm identifies subsets of genes with high correlation, reducing false negatives with a nonparametric filtering scheme. In the second step, biclusters from multiple datasets are used to extract and rank gene correlation information.

homepage: http://tda.gatech.edu/software/cpb/index.html

version	versionsuffix	toolchain
11-4-2011	-Python-2.7.13	foss/2017a

CPLEX

IBM ILOG CPLEX Optimizer’s mathematical programming technology enables analytical decision support for improving efficiency, reducing costs, and increasing profitability.

homepage: https://www.ibm.com/analytics/cplex-optimizer

version	versionsuffix	toolchain
12.9		GCCcore/8.2.0
12.10	-Python-3.7.4	GCCcore/8.3.0

CPPE

CPPE is an open-source, light-weight C++ and Python library for Polarizable Embedding (PE)1,2 calculations. It provides an easy-to-use API to implement PE for ground-state self-consistent field (SCF) calculations and post-SCF methods. A convenient Python interface is also available.

homepage: https://github.com/maxscheurer/cppe

version	toolchain
0.3.1	GCC/11.3.0

CppUnit

CppUnit is the C++ port of the famous JUnit framework for unit testing.

homepage: https://freedesktop.org/wiki/Software/cppunit/

version	toolchain
1.12.1	GCCcore/6.4.0, GCCcore/7.3.0, foss/2016a
1.15.1	GCCcore/10.3.0, GCCcore/11.3.0, GCCcore/8.3.0, GCCcore/9.3.0

cppy

A small C++ header library which makes it easier to write Python extension modules. The primary feature is a PyObject smart pointer which automatically handles reference counting and provides convenience methods for performing common object operations.

homepage: https://github.com/nucleic/cppy

version	toolchain
1.1.0	GCCcore/10.3.0, GCCcore/11.2.0
1.2.1	GCCcore/11.3.0

cpu_features

A cross-platform C library to retrieve CPU features (such as available instructions) at runtime.

homepage: https://github.com/google/cpu_features

version	toolchain
0.6.0	GCCcore/10.2.0

cram

Cram is a functional testing framework for command line applications.

homepage: https://bitheap.org/cram

version	toolchain
0.7	GCCcore/8.2.0

cramtools

CRAMTools is a set of Java tools and APIs for efficient compression of sequence read data. Although this is intended as a stable version the code is released as early access. Parts of the CRAMTools are experimental and may not be supported in the future.

homepage: https://github.com/enasequence/cramtools/

version	versionsuffix	toolchain
2.0	-Java-1.7.0_80	system
3.0	-Java-1.7.0_80	system

CrayCCE

Toolchain using Cray compiler wrapper, using PrgEnv-cray (PE release: June 2019).

homepage: https://pubs.cray.com/discover

version	toolchain
19.06	system

CrayGNU

Toolchain using Cray compiler wrapper, using PrgEnv-gnu module (PE release: June 2019).

homepage: https://pubs.cray.com/discover

version	toolchain
19.06	system

CrayIntel

Toolchain using Cray compiler wrapper, using PrgEnv-intel (PE release: June 2019).

homepage: https://pubs.cray.com/discover

version	toolchain
19.06	system

CrayPGI

Toolchain using Cray compiler wrapper, PrgEnv-pgi compiler (PE release: June 2019).

homepage: https://pubs.cray.com/discover

version	toolchain
19.06	system

crb-blast

Conditional Reciprocal Best BLAST - high confidence ortholog assignment. CRB-BLAST is a novel method for finding orthologs between one set of sequences and another. This is particularly useful in genome and transcriptome annotation.

homepage: https://github.com/cboursnell/crb-blast

version	versionsuffix	toolchain
0.6.9		gompi/2021a, gompi/2021b, intel/2017a
0.6.9	-Ruby-2.6.1	foss/2018b

CREST

CREST is an utility/driver program for the xtb program. Originally it was designed as conformer sampling program, hence the abbreviation Conformer–Rotamer Ensemble Sampling Tool, but now offers also some utility functions for calculations with the GFNn–xTB methods. Generally the program functions as an IO based OMP scheduler (i.e., calculations are performed by the xtb program) and tool for the creation and analysation of structure ensembles.

homepage: https://xtb-docs.readthedocs.io/en/latest/crest.html

version	toolchain
2.11	intel/2021a

CRF++

CRF++ is a simple, customizable, and open source implementation of Conditional Random Fields (CRFs) for segmenting/labeling sequential data. CRF++ is designed for generic purpose and will be applied to a variety of NLP tasks, such as Named Entity Recognition, Information Extraction and Text Chunking.

homepage: https://taku910.github.io/crfpp/

version	toolchain
0.58	iccifort/2019.1.144-GCC-8.2.0-2.31.1, intel/2018b

CRISPR-DAV

CRISPR-DAV is a pipeline to analyze amplicon-based NGS data of CRISPR clones in a high throughput manner.

homepage: https://github.com/pinetree1/crispr-dav/

version	toolchain
2.3.4	foss/2020b

CRISPResso2

CRISPResso2 is a software pipeline designed to enable rapid and intuitive interpretation of genome editing experiments.

homepage: https://github.com/pinellolab/CRISPResso2/

version	versionsuffix	toolchain
2.0.44	-Python-2.7.16	foss/2019b
2.1.2	-Python-2.7.18	foss/2020b
2.2.1		foss/2020b

cromwell

Cromwell is a Workflow Management System geared towards scientific workflows.

homepage: http://cromwell.readthedocs.io/

version	versionsuffix	toolchain
56	-Java-11	system

CrossMap

CrossMap is a program for genome coordinates conversion between different assemblies (such as hg18 (NCBI36) <=> hg19 (GRCh37)). It supports commonly used file formats including BAM, CRAM, SAM, Wiggle, BigWig, BED, GFF, GTF and VCF.

homepage: http://crossmap.sourceforge.net

version	versionsuffix	toolchain
0.3.9	-Python-3.7.2	foss/2019a

CrossTalkZ

CrossTalkZ is a statistical method and software to assess the significance of crosstalk enrichment between pairs of gene or protein groups in large biological networks.

homepage: http://sonnhammer.sbc.su.se/download/software/CrossTalkZ/

version	toolchain
1.4	foss/2016a

CRPropa

CRPropa is a publicly available code to study the propagation of ultra high energy nuclei up to iron on their voyage through an extra galactic environment.

homepage: https://crpropa.desy.de

version	versionsuffix	toolchain
3.1.5	-Python-3.7.2	foss/2019a
3.1.6	-Python-3.8.2	foss/2020a

Crumble

Exploration of controlled loss of quality values for compressing CRAM files

homepage: https://github.com/jkbonfield/crumble

version	toolchain
0.8.3	GCC/11.2.0

cryoCARE

This package is a memory efficient implementation of cryoCARE. This setup trains a denoising U-Net for tomographic reconstruction according to the Noise2Noise training paradigm. Therefore the user has to provide two tomograms of the same sample. The simplest way to achieve this is with direct- detector movie-frames. You can use Warp to generate two reconstructed tomograms based on the even/odd frames. Alternatively, the movie-frames can be split in two halves (e.g. with MotionCor2 -SplitSum 1 or with IMOD alignframes -debug 10000) from which two identical, up to random noise, tomograms can be reconstructed. These two (even and odd) tomograms can be used as input to this cryoCARE implementation.

homepage: https://github.com/juglab/cryoCARE_pip

version	versionsuffix	toolchain
0.2.1	-CUDA-11.3.1	foss/2021a

cryoDRGN

cryoDRGN: Deep Reconstructing Generative Networks for cryo-EM heterogeneous reconstruction. CryoDRGN is a neural network based algorithm for heterogeneous cryo-EM reconstruction. In particular, the method models a continuous distribution over 3D structures by using a neural network based representation for the volume.

homepage: https://cb.csail.mit.edu/cb/cryodrgn/

version	versionsuffix	toolchain
0.3.2		fosscuda/2020b
0.3.5	-CUDA-11.3.1	foss/2021a
1.0.0-beta	-CUDA-11.3.1	foss/2021a

CryptoMiniSat

CryptoMiniSat is an advanced SAT solver

homepage: https://github.com/msoos/cryptominisat

version	versionsuffix	toolchain
5.0.1	-Python-2.7.12	intel/2016b

CrystFEL

CrystFEL is a suite of programs for processing diffraction data acquired “serially” in a “snapshot” manner, such as when using the technique of Serial Femtosecond Crystallography (SFX) with a free-electron laser source.

homepage: http://www.desy.de/~twhite/crystfel/

version	toolchain
0.8.0	foss/2019a, intel/2019a

CSB

Computational Structural Biology Toolbox CSB is a python library and application framework, which can be used to solve problems in the field of structural bioinformatics. If you are a bioinformatician, software engineer or a researcher working in this field, chances are you may find something useful here. Our package consists of a few major components: 1. Core class library - object-oriented, granular, with an emphasis on design and clean interfaces. 2. Application framework - console applications (“protocols”), which consume objects from the core library in order to build something executable (and hopefully useful). 3. Test framework - ensures that the library actually works.

homepage: https://github.com/csb-toolbox

version	toolchain
1.2.5	foss/2020b

CSBDeep

CSBDeep is a toolbox for Content-aware Image Restoration (CARE).

homepage: https://csbdeep.bioimagecomputing.com/

version	versionsuffix	toolchain
0.4.1	-Python-3.7.2	foss/2019a, fosscuda/2019a

CSBLAST

Context-specific extension of BLAST that significantly improves sensitivity and alignment quality.

homepage: https://github.com/soedinglab/csblast/

version	toolchain
2.2.3	GCCcore/8.3.0

cscope

Cscope is a developer’s tool for browsing source code.

homepage: http://cscope.sourceforge.net/

version	toolchain
15.9	system

csvkit

csvkit is a suite of command-line tools for converting to and working with CSV, the king of tabular file formats.

homepage: https://github.com/wireservice/csvkit

version	versionsuffix	toolchain
1.0.4		GCCcore/8.2.0
1.0.5	-Python-3.7.4	GCCcore/8.3.0

ctags

Ctags generates an index (or tag) file of language objects found in source files that allows these items to be quickly and easily located by a text editor or other utility.

homepage: http://ctags.sourceforge.net/

version	toolchain
5.8	system

ctffind

Program for finding CTFs of electron micrographs.

homepage: https://grigoriefflab.umassmed.edu/ctffind4

version	versionsuffix	toolchain
4.1.13		foss/2019a, fosscuda/2019a, fosscuda/2019b
4.1.14		foss/2019b, foss/2021b, foss/2022a, fosscuda/2019b, fosscuda/2020b
4.1.14	-CUDA-11.3.1	foss/2021a

CTPL

Modern and efficient C++ Thread Pool Library

homepage: https://github.com/vit-vit/CTPL.git

version	toolchain
0.0.2	GCC/11.3.0

Cube

Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity.

homepage: http://www.scalasca.org/software/cube-4.x/download.html

version	toolchain
4.3.4	foss/2016a

CubeGUI

Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube graphical report explorer.

homepage: https://www.scalasca.org/software/cube-4.x/download.html

version	toolchain
4.4.4	GCCcore/8.2.0, GCCcore/9.3.0
4.6	GCCcore/10.2.0, GCCcore/10.3.0
4.8	GCCcore/11.3.0

CubeLib

Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube general purpose C++ library component and command-line tools.

homepage: https://www.scalasca.org/software/cube-4.x/download.html

version	toolchain
4.4.4	GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.3.0
4.6	GCCcore/10.2.0, GCCcore/10.3.0
4.8	GCCcore/11.3.0

CubeWriter

Cube, which is used as performance report explorer for Scalasca and Score-P, is a generic tool for displaying a multi-dimensional performance space consisting of the dimensions (i) performance metric, (ii) call path, and (iii) system resource. Each dimension can be represented as a tree, where non-leaf nodes of the tree can be collapsed or expanded to achieve the desired level of granularity. This module provides the Cube high-performance C writer library component.

homepage: https://www.scalasca.org/software/cube-4.x/download.html

version	toolchain
4.4.3	GCCcore/10.2.0, GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.3.0
4.6	GCCcore/10.2.0, GCCcore/10.3.0
4.8	GCCcore/11.3.0

CUDA

CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs.

homepage: https://developer.nvidia.com/cuda-toolkit

version	toolchain
5.5.22	GCC/4.8.2, system
6.0.37	system
6.5.14	system
7.0.28	system
7.5.18	GCC/4.9.4-2.25, iccifort/2016.3.210-GCC-4.9.3-2.25, system
8.0.44	GCC/5.4.0-2.26, iccifort/2016.3.210-GCC-5.4.0-2.26, system
8.0.61	system
8.0.61_375.26	GCC/5.4.0-2.26
9.0.176	GCC/6.4.0-2.28, iccifort/2017.4.196-GCC-6.4.0-2.28, system
9.1.85	GCC/6.4.0-2.28, system
9.2.88	GCC/6.4.0-2.28, GCC/7.3.0-2.30, system
9.2.148.1	system
10.0.130	system
10.1.105	GCC/8.2.0-2.31.1, iccifort/2019.1.144-GCC-8.2.0-2.31.1, system
10.1.168	system
10.1.243	GCC/8.3.0, iccifort/2019.5.281, system
10.2.89	GCC/8.3.0
11.0.2	GCC/9.3.0, iccifort/2020.1.217
11.1.1	GCC/10.2.0, iccifort/2020.4.304
11.3.1	system
11.4.1	system
11.4.2	system
11.5.0	system
11.5.1	system
11.6.0	system
11.7.0	system
11.8.0	system
12.0.0	system

CUDA-Samples

Samples for CUDA Developers which demonstrates features in CUDA Toolkit

homepage: https://github.com/NVIDIA/cuda-samples

version	versionsuffix	toolchain
11.3	-CUDA-11.3.1	GCC/10.3.0

CUDAcompat

Using the CUDA Forward Compatibility package, system administrators can run applications built using a newer toolkit even when an older driver that does not satisfy the minimum required driver version is installed on the system. This forward compatibility allows the CUDA deployments in data centers and enterprises to benefit from the faster release cadence and the latest features and performance of CUDA Toolkit.

homepage: https://docs.nvidia.com/deploy/cuda-compatibility/index.html

version	versionsuffix	toolchain
11		system
11.6		system
11.6	-510.85.02	system
11.7		system
11.7	-515.65.01	system

CUDAcore

CUDA (formerly Compute Unified Device Architecture) is a parallel computing platform and programming model created by NVIDIA and implemented by the graphics processing units (GPUs) that they produce. CUDA gives developers access to the virtual instruction set and memory of the parallel computational elements in CUDA GPUs.

homepage: https://developer.nvidia.com/cuda-toolkit

version	toolchain
11.0.2	system
11.1.1	system
11.2.1	system
11.2.2	system
11.3.0	system
11.4.0	system
11.5.1	system

cuDNN

The NVIDIA CUDA Deep Neural Network library (cuDNN) is a GPU-accelerated library of primitives for deep neural networks.

homepage: https://developer.nvidia.com/cudnn

version	versionsuffix	toolchain
4.0		system
5.0	-CUDA-7.5.18	system
5.0-rc		system
5.1	-CUDA-8.0.44	system
6.0	-CUDA-8.0.61	system
6.0.21	-CUDA-7.5.18	system
6.0.21	-CUDA-8.0.44	system
7.0.2	-CUDA-9.0.176	system
7.0.5	-CUDA-8.0.44	system
7.0.5	-CUDA-9.0.176	system
7.0.5	-CUDA-9.1.85	system
7.0.5.15		fosscuda/2017b, fosscuda/2018a, intelcuda/2017b
7.1.4.18		fosscuda/2018b
7.4.2.24		gcccuda/2019a
7.4.2.24	-CUDA-10.0.130	system
7.5.0.56	-CUDA-10.0.130	system
7.6.2.24	-CUDA-10.1.243	system
7.6.4.38		gcccuda/2019a, gcccuda/2019b
7.6.4.38	-CUDA-10.0.130	system
8.0.4.30	-CUDA-11.0.2	system
8.0.4.30	-CUDA-11.1.1	system
8.0.5.39	-CUDA-11.1.1	system
8.1.0.77	-CUDA-11.2.1	system
8.1.1.33	-CUDA-11.2.1	system
8.2.1.32	-CUDA-11.3.1	system
8.2.2.26	-CUDA-11.4.0	system
8.2.2.26	-CUDA-11.4.1	system
8.4.0.27	-CUDA-11.6.0	system
8.4.1.50	-CUDA-11.6.0	system
8.4.1.50	-CUDA-11.7.0	system
8.6.0.163	-CUDA-11.8.0	system
8.7.0.84	-CUDA-11.8.0	system

Cufflinks

Transcript assembly, differential expression, and differential regulation for RNA-Seq

homepage: http://cole-trapnell-lab.github.io/cufflinks/

version	toolchain
2.2.1	foss/2016a, foss/2016b, foss/2018b, gompi/2019b, intel/2017b, intel/2018a
20190706	GCC/10.2.0, GCC/11.2.0, gompi/2019a

CUnit

Automated testing framework for C.

homepage: https://sourceforge.net/projects/cunit/

version	toolchain
2.1-3	GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/6.4.0

CuPy

CuPy is an open-source array library accelerated with NVIDIA CUDA.

homepage: https://cupy.dev

version	versionsuffix	toolchain
8.2.0	-Python-3.7.4	fosscuda/2019b
8.5.0		fosscuda/2020b

cURL

libcurl is a free and easy-to-use client-side URL transfer library, supporting DICT, FILE, FTP, FTPS, Gopher, HTTP, HTTPS, IMAP, IMAPS, LDAP, LDAPS, POP3, POP3S, RTMP, RTSP, SCP, SFTP, SMTP, SMTPS, Telnet and TFTP. libcurl supports SSL certificates, HTTP POST, HTTP PUT, FTP uploading, HTTP form based upload, proxies, cookies, user+password authentication (Basic, Digest, NTLM, Negotiate, Kerberos), file transfer resume, http proxy tunneling and more.

homepage: https://curl.haxx.se

version	toolchain
7.33.0	GCC/4.8.2
7.34.0	GCC/4.8.2
7.40.0	GCC/4.9.2
7.46.0	iomkl/2016.07, iomkl/2016.09-GCC-4.9.3-2.25
7.47.0	foss/2016a, intel/2016.02-GCC-4.9, intel/2016a
7.49.1	GCCcore/5.4.0, foss/2016a, foss/2016b, intel/2016a, intel/2016b
7.52.1	gimkl/2017a, intel/2016b
7.53.1	GCCcore/6.3.0
7.54.0	GCCcore/6.3.0
7.55.1	GCCcore/6.4.0
7.56.0	GCCcore/6.4.0
7.56.1	GCCcore/6.4.0
7.58.0	GCCcore/6.4.0
7.59.0	GCCcore/6.4.0
7.60.0	GCCcore/7.2.0, GCCcore/7.3.0
7.63.0	GCCcore/8.2.0
7.66.0	GCCcore/8.3.0
7.69.1	GCCcore/9.3.0
7.72.0	GCCcore/10.2.0
7.76.0	GCCcore/10.3.0
7.78.0	GCCcore/11.2.0
7.83.0	GCCcore/11.3.0
7.84.0	GCCcore/12.1.0
7.86.0	GCCcore/12.2.0

custodian

A simple JIT job management framework in Python.

homepage: https://pypi.python.org/pypi/custodian

version	versionsuffix	toolchain
1.1.0	-Python-2.7.13	intel/2017a

cutadapt

Cutadapt finds and removes adapter sequences, primers, poly-A tails and other types of unwanted sequence from your high-throughput sequencing reads.

homepage: https://opensource.scilifelab.se/projects/cutadapt/

version	versionsuffix	toolchain
1.9.1	-Python-2.7.11	foss/2016a
1.9.1	-Python-2.7.12	foss/2016b
1.14	-Python-2.7.13	foss/2017a, intel/2017a
1.15	-Python-3.5.2	foss/2016b
1.16	-Python-2.7.14	foss/2017b, intel/2017b, intel/2018a
1.16	-Python-3.6.3	foss/2017b, intel/2017b
1.16	-Python-3.6.4	foss/2018a, intel/2018a
1.18		GCCcore/8.2.0, GCCcore/8.3.0
1.18	-Python-2.7.15	foss/2018b
1.18	-Python-2.7.18	GCC/10.2.0
1.18	-Python-3.6.6	foss/2018b, intel/2018b
2.1	-Python-3.6.6	foss/2018b
2.7	-Python-3.7.4	GCCcore/8.3.0
2.8	-Python-3.7.4	GCCcore/8.3.0
2.10	-Python-3.7.4	GCCcore/8.3.0
2.10	-Python-3.8.2	GCCcore/9.3.0
3.4		GCCcore/10.2.0, GCCcore/10.3.0
3.5		GCCcore/11.2.0
4.2		GCCcore/11.3.0

cuTENSOR

The cuTENSOR Library is a GPU-accelerated tensor linear algebra library providing tensor contraction, reduction and elementwise operations.

homepage: https://developer.nvidia.com/cutensor

version	versionsuffix	toolchain
1.2.2.5		gcccuda/2019b
1.2.2.5	-CUDA-11.1.1	system
1.6.0.3	-CUDA-11.3.1	system
1.6.1.5	-CUDA-11.7.0	system

CVS

CVS is a version control system, an important component of Source Configuration Management (SCM).

homepage: https://savannah.nongnu.org/projects/cvs

version	toolchain
1.11.23	GCC/4.8.2, GCCcore/11.2.0, GCCcore/4.9.3, GCCcore/6.4.0

CVXOPT

CVXOPT is a free software package for convex optimization based on the Python programming language. Its main purpose is to make the development of software for convex optimization applications straightforward by building on Python’s extensive standard library and on the strengths of Python as a high-level programming language.

homepage: https://cvxopt.org

version	versionsuffix	toolchain
1.1.9	-Python-2.7.13	intel/2017a
1.2.1	-Python-3.6.4	intel/2018a
1.2.3		foss/2019a
1.2.3	-Python-3.6.6	intel/2018b
1.2.4	-Python-3.7.4	intel/2019b
1.2.6		foss/2020b, foss/2021a

CVXPY

CVXPY is a Python-embedded modeling language for convex optimization problems. It allows you to express your problem in a natural way that follows the math, rather than in the restrictive standard form required by solvers.

homepage: https://www.cvxpy.org/

version	versionsuffix	toolchain
1.0.24		foss/2019a
1.0.28	-Python-3.7.4	foss/2019b

CWIPI

CWIPI (Coupling With Interpolation Parallel Interface) library helps in chaining and coupling codes. Provides exchanges of interpolated fields through a non-compliant geometric interface and allows control of the coupling algorithm using control parameters. CWIPI takes advantage of the distribution of the definition of the coupling algorithm in the different codes.

homepage: https://w3.onera.fr/cwipi/

version	toolchain
0.12.0	gompi/2021a

cwltool

Common workflow language (CWL) reference implementation.

homepage: https://github.com/common-workflow-language/cwltool

version	toolchain
3.1.20221018083734	foss/2021a

cxxopts

cxxopts is a lightweight C++ command line option parser

homepage: https://github.com/jarro2783/cxxopts

version	toolchain
3.0.0	system

cysignals

The cysignals package provides mechanisms to handle interrupts (and other signals and errors) in Cython code.

homepage: https://pypi.org/project/cysignals/

version	versionsuffix	toolchain
1.10.2	-Python-2.7.14	foss/2017b, intel/2017b
1.10.2	-Python-3.6.3	foss/2017b, intel/2017b

Cython

Cython is an optimising static compiler for both the Python programming language and the extended Cython programming language (based on Pyrex).

homepage: https://cython.org/

version	versionsuffix	toolchain
0.23.4	-Python-2.7.10	gimkl/2.11.5
0.24.1	-Python-2.7.11	foss/2016a
0.25.2	-Python-2.7.12	foss/2016b
0.25.2	-Python-3.6.4	intel/2018a
0.27.3	-Python-2.7.15	GCCcore/8.2.0
0.29.10	-Python-2.7.14	foss/2017b, intel/2017b
0.29.10	-Python-3.6.3	foss/2017b, intel/2017b
0.29.22		GCCcore/10.2.0
3.0a5		GCCcore/10.2.0

cytoolz

Cython implementation of the toolz package, which provides high performance utility functions for iterables, functions, and dictionaries.

homepage: https://github.com/pytoolz/cytoolz

version	versionsuffix	toolchain
0.10.1	-Python-3.6.6	foss/2018b
0.10.1	-Python-3.7.2	GCCcore/8.2.0

Cytoscape

Cytoscape is an open source software platform for visualizing complex networks and integrating these with any type of attribute data. A lot of Apps are available for various kinds of problem domains, including bioinformatics, social network analysis, and semantic web.

homepage: https://cytoscape.org/

version	versionsuffix	toolchain
3.9.1	-Java-11	system

cytosim

Cytosim is a cytoskeleton simulation engine written in C++ working on Mac OS, GNU/Linux and Windows (with Cygwin).

homepage: https://github.com/nedelec/cytosim

version	versionsuffix	toolchain
20190117	-mkl	gomkl/2019a

cyvcf2

cython + htslib == fast VCF and BCF processing

homepage: https://github.com/brentp/cyvcf2

version	versionsuffix	toolchain
0.10.10	-Python-3.6.6	foss/2018b
0.11.5		foss/2019a, intel/2019a

D

dadi - dagitty - Dakota - Dalton - damageproto - dammit - DANPOS2 - DAS_Tool - dask - datamash - davix - DB - DB_File - DBD-mysql - DBG2OLC - DBus - dbus-glib - dcm2niix - DCMTK - dd - deal.II - deap - decona - deconf - DeconICA - deepdiff - DeepLabCut - deepmedic - DeepMod2 - DeepSurv - deepTools - Delly - DeMixT - DendroPy - destiny - Detectron2 - detonate - Devito - DFA - DFT-D3 - DFT-D4 - DFTB+ - dftd3-lib - DGL - DIAL - DIAMOND - Dice - dicom2nifti - DicomBrowser - Diffutils - dijitso - dill - DIRAC - distributed - DistributedStream - DL_POLY_4 - DL_POLY_Classic - dlb - dlib - dm-reverb - dm-tree - DMCfun - DMTCP - DOLFIN - Doris - DosageConvertor - dotNET-Core-Runtime - dotNET-SDK - double-conversion - DoubletFinder - Doxygen - DRAGMAP - Drake - dRep - DROP - dropEst - DSA - dSFMT - DSRC - Dsuite - dtcmp - dtcwt - DualSPHysics - DUBStepR - dune-core - dune-fem - dxpy - DyMat

dadi

∂a∂i implements methods for demographic history and selection inference from genetic data, based on diffusion approximations to the allele frequency spectrum.

homepage: https://bitbucket.org/gutenkunstlab/dadi

version	versionsuffix	toolchain
1.7.0	-Python-2.7.12	intel/2016b

dagitty

A port of the web-based software ‘DAGitty’, available at <http://dagitty.net>, for analyzing structural causal models (also known as directed acyclic graphs or DAGs). This package computes covariate adjustment sets for estimating causal effects, enumerates instrumental variables, derives testable implications (d-separation and vanishing tetrads), generates equivalent models, and includes a simple facility for data simulation.

homepage: https://cran.r-project.org/web/packages/dagitty/

version	versionsuffix	toolchain
0.2-2	-R-3.5.1	foss/2018b

Dakota

The Dakota project delivers both state-of-the-art research and robust, usable software for optimization and UQ. Broadly, the Dakota software’s advanced parametric analyses enable design exploration, model calibration, risk analysis, and quantification of margins and uncertainty with computational models.

homepage: https://dakota.sandia.gov/

version	toolchain
6.16.0	foss/2021b

Dalton

The Dalton code is a powerful tool for a wide range of molecular properties at different levels of theory. Any published work arising from use of one of the Dalton2016 programs must acknowledge that by a proper reference, https://www.daltonprogram.org/www/citation.html.

homepage: https://daltonprogram.org/

version	versionsuffix	toolchain
2016	-i8	intel/2017b
2020.0		foss/2021a

damageproto

X protocol and ancillary headers for xinerama

homepage: http://www.freedesktop.org/wiki/Software/xlibs

version	toolchain
1.2.1	foss/2016a, intel/2016a

dammit

dammit is a simple de novo transcriptome annotator. It was born out of the observations that annotation is mundane and annoying, all the individual pieces of the process exist already, and the existing solutions are overly complicated or rely on crappy non-free software.

homepage: http://www.camillescott.org/dammit/

version	versionsuffix	toolchain
0.3.2	-Python-2.7.13	intel/2017a

DANPOS2

A toolkit for Dynamic Analysis of Nucleosome and Protein Occupancy by Sequencing, version 2

homepage: https://sites.google.com/site/danposdoc

version	versionsuffix	toolchain
2.2.2	-Python-2.7.12	foss/2016b

DAS_Tool

DAS Tool is an automated method that integrates the results of a flexible number of binning algorithms to calculate an optimized, non-redundant set of bins from a single assembly.

homepage: https://github.com/cmks/DAS_Tool

version	versionsuffix	toolchain
1.1.1	-R-3.5.1-Python-2.7.15	foss/2018b
1.1.1	-R-4.1.2	foss/2021b
1.1.3	-R-4.1.0	foss/2021a

dask

Dask natively scales Python. Dask provides advanced parallelism for analytics, enabling performance at scale for the tools you love.

homepage: https://dask.org/

version	versionsuffix	toolchain
0.8.2	-Python-2.7.11	intel/2016a
0.8.2	-Python-3.5.1	intel/2016a
0.11.0	-Python-2.7.11	foss/2016a
0.11.0	-Python-2.7.12	intel/2016b
0.11.0	-Python-3.5.2	intel/2016b
0.12.0	-Python-2.7.12	intel/2016b
0.12.0	-Python-3.5.2	foss/2016b, intel/2016b
0.16.0	-Python-2.7.14	foss/2017b, intel/2017b
0.16.0	-Python-3.6.3	foss/2017b, intel/2017b
0.17.0	-Python-2.7.13	foss/2017a, intel/2017a
0.17.0	-Python-3.6.1	intel/2017a
0.17.2	-Python-3.6.4	foss/2018a, intel/2018a
0.19.4	-Python-3.6.6	foss/2018b, fosscuda/2018b, intel/2018b
1.0.0	-Python-3.6.6	foss/2018b, intel/2018b
1.1.4	-Python-2.7.15	fosscuda/2018b
2.3.0	-Python-3.7.2	foss/2019a
2.8.0	-Python-3.7.4	foss/2019b, fosscuda/2019b, intel/2019b
2.18.1	-Python-3.8.2	foss/2020a, intel/2020a
2021.2.0		foss/2020b, fosscuda/2020b, intel/2020b, intelcuda/2020b
2021.9.1		foss/2021a
2022.1.0		foss/2021b
2022.10.0		foss/2022a

datamash

GNU datamash performs basic numeric, textual and statistical operations on input data files

homepage: https://www.gnu.org/software/datamash/

version	toolchain
1.3	foss/2018a
1.5	GCCcore/10.2.0, GCCcore/7.3.0, GCCcore/8.3.0

davix

The davix project aims to make file management over HTTP-based protocols simple. The focus is on high-performance remote I/O and data management of large collections of files. Currently, there is support for the WebDav (link is external), Amazon S3 (link is external), Microsoft Azure (link is external), and HTTP (link is external) protocols.

homepage: https://dmc.web.cern.ch/projects/davix/home

version	toolchain
0.6.6	intel/2017a
0.7.5	GCCcore/8.3.0

DB

Berkeley DB enables the development of custom data management solutions, without the overhead traditionally associated with such custom projects.

homepage: http://www.oracle.com/technetwork/products/berkeleydb

version	toolchain
4.8.30	intel/2016a
6.2.23	foss/2016a
6.2.32	GCCcore/6.4.0, intel/2017a
18.1.25	GCCcore/7.3.0
18.1.32	GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.3.0
18.1.40	FCC/4.5.0, GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0, GCCcore/12.1.0, GCCcore/12.2.0, GCCcore/8.2.0, GCCcore/8.3.0

DB_File

Perl5 access to Berkeley DB version 1.x.

homepage: https://perldoc.perl.org/DB_File.html

version	versionsuffix	toolchain
1.835		GCCcore/9.3.0
1.835	-Perl-5.20.3	intel/2016a
1.835	-Perl-5.22.1	foss/2016a
1.855		GCCcore/10.2.0
1.856		GCCcore/10.3.0
1.857		GCCcore/11.2.0
1.858		GCCcore/11.3.0

DBD-mysql

Perl binding for MySQL

homepage: https://metacpan.org/pod/distribution/DBD-mysql/lib/DBD/mysql.pm

version	versionsuffix	toolchain
4.032	-Perl-5.22.2	intel/2016a
4.033	-Perl-5.24.0	intel/2016b
4.042	-Perl-5.24.1	intel/2017a
4.046	-Perl-5.26.0	foss/2017b, intel/2017b
4.046	-Perl-5.26.1	intel/2018a
4.048	-Perl-5.28.0	foss/2018b
4.050		GCC/10.2.0, GCC/11.2.0, GCC/11.3.0
4.050	-Perl-5.28.1	foss/2019a

DBG2OLC

DBG2OLC:Efficient Assembly of Large Genomes Using Long Erroneous Reads of the Third Generation Sequencing Technologies

homepage: https://github.com/yechengxi/DBG2OLC

version	toolchain
20170208	intel/2016b, intel/2017a
20180221	GCC/6.4.0-2.28, iccifort/2017.4.196-GCC-6.4.0-2.28

DBus

D-Bus is a message bus system, a simple way for applications to talk to one another. In addition to interprocess communication, D-Bus helps coordinate process lifecycle; it makes it simple and reliable to code a “single instance” application or daemon, and to launch applications and daemons on demand when their services are needed.

homepage: https://dbus.freedesktop.org/

version	toolchain
1.10.8	foss/2016a, intel/2016a
1.10.12	intel/2016b
1.10.20	GCCcore/6.4.0
1.11.20	intel/2017a
1.13.0	intel/2017b
1.13.6	GCCcore/6.4.0, GCCcore/7.3.0
1.13.8	GCCcore/8.2.0
1.13.12	GCCcore/8.3.0, GCCcore/9.3.0
1.13.18	GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0
1.14.0	GCCcore/11.3.0
1.15.2	GCCcore/12.2.0

dbus-glib

D-Bus is a message bus system, a simple way for applications to talk to one another.

homepage: https://dbus.freedesktop.org/doc/dbus-glib

version	toolchain
0.106	foss/2016a, intel/2016a
0.108	intel/2016b, intel/2017a
0.110	GCCcore/7.3.0, GCCcore/8.2.0, GCCcore/8.3.0, intel/2017b
0.112	GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0

dcm2niix

dcm2niix is designed to convert neuroimaging data from the DICOM format to the NIfTI format.

homepage: https://github.com/rordenlab/dcm2niix

version	toolchain
1.0.20180622	GCCcore/6.4.0, GCCcore/7.3.0
1.0.20190902	GCCcore/7.3.0, GCCcore/8.2.0
1.0.20200331	GCCcore/8.3.0
1.0.20201102	GCCcore/8.3.0
1.0.20211006	GCCcore/10.3.0
1.0.20220720	GCCcore/11.3.0

DCMTK

DCMTK is a collection of libraries and applications implementing large parts the DICOM standard. It includes software for examining, constructing and converting DICOM image files, handling offline media, sending and receiving images over a network connection, as well as demonstrative image storage and worklist servers.

homepage: https://dicom.offis.de/dcmtk

version	toolchain
3.6.3	GCCcore/7.3.0
3.6.5	GCCcore/8.2.0, GCCcore/8.3.0
3.6.6	GCCcore/10.3.0, GCCcore/11.2.0
3.6.7	GCCcore/11.3.0

dd

dd is a package for working with binary decision diagrams that includes both a pure Python implementation and Cython bindings to C libraries (CUDD, Sylvan, BuDDy). The Python and Cython modules implement the same API, so the same user code runs with both. All the standard operations on BDDs are available, including dynamic variable reordering using sifting, garbage collection, dump/load from files, plotting, and a parser of quantified Boolean expressions. This module includes bindings for: CUDD v3.0.0, Sylvan v1.0.0

homepage: https://github.com/tulip-control/dd

version	versionsuffix	toolchain
0.5.6	-Python-3.8.2	foss/2020a

deal.II

deal.II is a C++ program library targeted at the computational solution of partial differential equations using adaptive finite elements.

homepage: https://www.dealii.org

version	toolchain
9.1.1	foss/2019a, intel/2019a
9.3.3	foss/2021a

deap

DEAP is a novel evolutionary computation framework for rapid prototyping and testing of ideas. It seeks to make algorithms explicit and data structures transparent.

homepage: http://deap.readthedocs.org/en/master/

version	versionsuffix	toolchain
0.9.2	-Python-2.7.12	intel/2016b

decona

fastq to polished sequenses: pipeline suitable for mixed samples and long (Nanopore) reads

homepage: https://github.com/Saskia-Oosterbroek/decona

version	versionsuffix	toolchain
0.1.2	-Python-3.7.4	foss/2019b

deconf

decomposition (deconfounding) of OMICS datasets in heterogeneous tissues

homepage: http://web.cbio.uct.ac.za/~renaud/CRAN/

version	versionsuffix	toolchain
1.0.1	-R-3.5.1	foss/2018b

DeconICA

Deconvolution of transcriptome through Immune Component Analysis (DeconICA) is an R package for identifying immune-related signals in transcriptome through deconvolution or unsupervised source separation methods.

homepage: https://urszulaczerwinska.github.io/DeconICA

version	versionsuffix	toolchain
0.1.0	-R-3.5.1	foss/2018b

deepdiff

DeepDiff: Deep Difference of dictionaries, iterables and almost any other object recursively.

homepage: https://zepworks.com/deepdiff/current/

version	versionsuffix	toolchain
3.3.0	-Python-2.7.15	intel/2018b
3.3.0	-Python-3.6.6	foss/2018b, intel/2018b
4.0.6	-Python-3.7.2	GCCcore/8.2.0
5.0.2	-Python-3.7.4	GCCcore/8.3.0
5.7.0		GCCcore/11.2.0
5.8.1		GCCcore/11.3.0

DeepLabCut

Markerless tracking of user-defined features with deep learning

homepage: http://www.mousemotorlab.org/deeplabcut

version	versionsuffix	toolchain
2.2.0.6	-CUDA-11.3.1	foss/2021a

deepmedic

Efficient Multi-Scale 3D Convolutional Neural Network for Segmentation of 3D Medical Scans.

homepage: https://biomedia.doc.ic.ac.uk/software/deepmedic/

version	versionsuffix	toolchain
0.8.2		foss/2021a
0.8.2	-CUDA-11.3.1	foss/2021a

DeepMod2

DeepMod2 is a computational tool for detecting DNA methylation and modifications from Oxford Nanopore reads.

homepage: https://github.com/WGLab/DeepMod2

version	toolchain
0.0.1	foss/2021a

DeepSurv

DeepSurv is a deep learning approach to survival analysis.

homepage: https://github.com/jaredleekatzman/DeepSurv

version	versionsuffix	toolchain
2.0.0-20180922	-Python-3.6.6	fosscuda/2018b

deepTools

deepTools is a suite of python tools particularly developed for the efficient analysis of high-throughput sequencing data, such as ChIP-seq, RNA-seq or MNase-seq.

homepage: https://deeptools.readthedocs.io/

version	versionsuffix	toolchain
2.5.4	-Python-3.6.3	intel/2017b
3.3.1	-Python-3.6.6	foss/2018b
3.3.1	-Python-3.7.4	intel/2019b
3.3.1	-Python-3.8.2	foss/2020a
3.5.0		foss/2021a
3.5.1		foss/2021b

Delly

Delly is an integrated structural variant (SV) prediction method that can discover, genotype and visualize deletions, tandem duplications, inversions and translocations at single-nucleotide resolution in short-read massively parallel sequencing data. It uses paired-ends, split-reads and read-depth to sensitively and accurately delineate genomic rearrangements throughout the genome.

homepage: https://github.com/dellytools/delly/

version	versionsuffix	toolchain
0.7.8	-linux_x86_64	system
0.8.7		gompi/2020b
1.1.5		GCC/11.3.0

DeMixT

Cell type-specific deconvolution of heterogeneous tumor samples with two or three components using expression data from RNAseq or microarray platforms.

homepage: https://bioinformatics.mdanderson.org/main/DeMixT

version	versionsuffix	toolchain
0.2.1	-R-3.5.1	foss/2018b

DendroPy

A Python library for phylogenetics and phylogenetic computing: reading, writing, simulation, processing and manipulation of phylogenetic trees (phylogenies) and characters.

homepage: https://dendropy.org/

version	versionsuffix	toolchain
4.4.0		GCCcore/8.2.0, GCCcore/8.3.0, GCCcore/9.3.0, intel/2019a
4.4.0	-Python-2.7.15	intel/2018b
4.5.2		GCCcore/10.2.0, GCCcore/10.3.0, GCCcore/11.2.0, GCCcore/11.3.0
4.5.2	-Python-2.7.18	GCCcore/10.2.0

destiny

R packages to create and plot diffusion maps.

homepage: https://bioconductor.org/packages/destiny

version	versionsuffix	toolchain
2.5.6	-R-3.4.0	intel/2017a

Detectron2

Detectron2 is Facebook AI Research’s next generation library that provides state-of-the-art detection and segmentation algorithms. It is the successor of Detectron and maskrcnn-benchmark. It supports a number of computer vision research projects and production applications in Facebook.

homepage: https://github.com/facebookresearch/detectron2

version	versionsuffix	toolchain
0.6		foss/2021a
0.6	-CUDA-11.3.1	foss/2021a

detonate

DETONATE (DE novo TranscriptOme rNa-seq Assembly with or without the Truth Evaluation) consists of two component packages, RSEM-EVAL and REF-EVAL. Both packages are mainly intended to be used to evaluate de novo transcriptome assemblies, although REF-EVAL can be used to compare sets of any kinds of genomic sequences.

homepage: http://deweylab.biostat.wisc.edu/detonate/

version	toolchain
1.11	intel/2017b

Devito

Devito is a domain-specific Language (DSL) and code generation framework for performing optimised Finite Difference (FD) computation from high-level symbolic problem definitions. Devito performs automated code generation and Just-In-time (JIT) compilation based on symbolic equations defined in SymPy to create and execute highly optimised Finite Difference stencil kernels on multiple computer platforms.

homepage: https://www.devitoproject.org

version	versionsuffix	toolchain
4.6.1	-Python-3.8.2	foss/2020a

DFA

Python library for modeling DFAs, Moore Machines, and Transition Systems.

homepage: https://github.com/mvcisback/dfa

version	versionsuffix	toolchain
0.3.4	-Python-3.8.2	GCCcore/9.3.0
2.1.2		GCCcore/10.2.0

DFT-D3

DFT-D3 implements a dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods.

homepage: http://www.thch.uni-bonn.de/tc/index.php?section=downloads&subsection=DFT-D3&lang=english

version	toolchain
3.2.0	GCC/8.3.0, iccifort/2020.4.304, intel-compilers/2021.2.0, intel/2019a

DFT-D4

Generally Applicable Atomic-Charge Dependent London Dispersion Correction.

homepage: https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dftd4

version	versionsuffix	toolchain
3.2.0	-Python-3.7.4	intel/2019b

DFTB+

DFTB+ is a fast and efficient versatile quantum mechanical simulation package. It is based on the Density Functional Tight Binding (DFTB) method, containing almost all of the useful extensions which have been developed for the DFTB framework so far. Using DFTB+ you can carry out quantum mechanical simulations like with ab-initio density functional theory based packages, but in an approximate way gaining typically around two order of magnitude in speed.

homepage: https://www.dftb-plus.info

version	versionsuffix	toolchain
1.3.1		intel/2017a
17.1	-Python-2.7.14	intel/2017b
19.1	-Python-2.7.16	foss/2019b
19.1	-Python-2.7.16-mpi	foss/2019b
21.1		intel/2021a

dftd3-lib

This is a repackaged version of the DFTD3 program by S. Grimme and his coworkers. The original program (V3.1 Rev 1) was downloaded at 2016-04-03. It has been converted to free format and encapsulated into modules.

homepage: https://github.com/dftbplus/dftd3-lib

version	toolchain
0.9	GCC/8.3.0, intel-compilers/2021.2.0

DGL

DGL is an easy-to-use, high performance and scalable Python package for deep learning on graphs. DGL is framework agnostic, meaning if a deep graph model is a component of an end-to-end application, the rest of the logics can be implemented in any major frameworks, such as PyTorch, Apache MXNet or TensorFlow.

homepage: https://www.dgl.ai

version	versionsuffix	toolchain
0.6.1	-Python-3.7.4-PyTorch-1.8.1	fosscuda/2019b

DIAL

DIAL (De novo Identification of Alleles) is a collection of programs to automate the discovery of alleles for a species where we lack a reference sequence. The SNPs/alleles are specifically selected for a low error rate in genotyping assays.

homepage: http://www.bx.psu.edu/miller_lab/

version	toolchain
2011.06.06	foss/2016a

DIAMOND

Accelerated BLAST compatible local sequence aligner

homepage: https://github.com/bbuchfink/diamond

version	toolchain
0.9.22	foss/2018a, foss/2018b, intel/2018a, intel/2018b
0.9.24	iccifort/2019.1.144-GCC-8.2.0-2.31.1
0.9.30	GCC/8.3.0, iccifort/2019.5.281
0.9.36	GCC/9.3.0
2.0.4	GCC/9.3.0
2.0.6	GCC/7.3.0-2.30
2.0.7	GCC/10.2.0
2.0.11	GCC/10.3.0
2.0.13	GCC/10.3.0, GCC/11.2.0

Dice

Dice contains code for performing SHCI, VMC, GFMC, DMC, FCIQMC, stochastic MRCI and SC-NEVPT2, and AFQMC calculations with a focus on ab initio systems.

homepage: https://github.com/sanshar/Dice

version	toolchain
20221025	foss/2022a

dicom2nifti

Python library for converting dicom files to nifti

homepage: https://github.com/icometrix/dicom2nifti

version	versionsuffix	toolchain
2.2.12	-Python-3.8.2	foss/2020a
2.3.0		foss/2020b

DicomBrowser

DicomBrowser is an application for inspecting and modifying DICOM metadata in many files at once.

homepage: http://nrg.wustl.edu/software/dicom-browser/

version	versionsuffix	toolchain
1.7.0b5	-Java-1.7.0_80	system

Diffutils

Diffutils: GNU diff utilities - find the differences between files

homepage: http://www.gnu.org/software/diffutils/diffutils.html

version	toolchain
3.3	GCC/4.8.2

dijitso

dijitso is a Python module for distributed just-in-time shared library building.

homepage: https://bitbucket.org/fenics-project/dijitso

version	versionsuffix	toolchain
2019.1.0	-Python-3.7.4	foss/2019b

dill

dill extends python’s pickle module for serializing and de-serializing python objects to the majority of the built-in python types. Serialization is the process of converting an object to a byte stream, and the inverse of which is converting a byte stream back to on python object hierarchy.

homepage: https://pypi.org/project/dill/

version	toolchain
0.3.0	GCCcore/8.2.0
0.3.3	GCCcore/10.2.0, GCCcore/8.3.0
0.3.4	GCCcore/10.3.0, GCCcore/11.2.0

DIRAC

DIRAC: Program for Atomic and Molecular Direct Iterative Relativistic All-electron Calculations

homepage: http://www.diracprogram.org

version	versionsuffix	toolchain
19.0	-Python-2.7.18-int64	intel/2020a
19.0	-Python-2.7.18-mpi-int64	intel/2020a
22.0		foss/2021a, intel/2021a

distributed

Dask.distributed is a lightweight library for distributed computing in Python. It extends both the concurrent.futures and dask APIs to moderate sized clusters.

homepage: https://distributed.readthedocs.io/

version	versionsuffix	toolchain
1.14.3	-Python-2.7.12	intel/2016b
1.14.3	-Python-3.5.2	intel/2016b
1.21.6	-Python-3.6.4	intel/2018a

DistributedStream

A MPI distributed stream benchmark, useful to identifying nodes with poor memory performance and characterising memory bandwidth variation over systems.

homepage: https://github.com/adrianjhpc/DistributedStream

version	toolchain
1.0	gompi/2021a

DL_POLY_4

DL_POLY is a general purpose classical molecular dynamics (MD) simulation software

homepage: https://www.scd.stfc.ac.uk/Pages/DL_POLY.aspx

version	toolchain
5.0.0	foss/2020b, intel/2020b

DL_POLY_Classic

DL_POLY Classic is a freely available molecular dynamics program developed from the DL_POLY_2 package. This version does not install the java gui.

homepage: http://ccpforge.cse.rl.ac.uk/gf/project/dl_poly_classic/

version	versionsuffix	toolchain
1.9		intel/2016b
1.9	-PLUMED-2.2.3	intel/2016b
1.10		foss/2019b, intel/2019b

dlb

DLB is a dynamic library designed to speed up HPC hybrid applications (i.e., two levels of parallelism) by improving the load balance of the outer level of parallelism (e.g., MPI) by dynamically redistributing the computational resources at the inner level of parallelism (e.g., OpenMP). at run time.

homepage: https://pm.bsc.es/dlb/

version	toolchain
3.2	gompi/2022a, iimpi/2022a

dlib

Dlib is a modern C++ toolkit containing machine learning algorithms and tools for creating complex software in C++ to solve real world problems. It is used in both industry and academia in a wide range of domains including robotics, embedded devices, mobile phones, and large high performance computing environments.

homepage: https://github.com/davisking/dlib

version	versionsuffix	toolchain
19.22		foss/2021a
19.22	-CUDA-11.3.1	foss/2021a

dm-reverb

Reverb is an efficient and easy-to-use data storage and transport system designed for machine learning research. Reverb is primarily used as an experience replay system for distributed reinforcement learning algorithms but the system also supports multiple data structure representations such as FIFO, LIFO, and priority queues.

homepage: https://github.com/deepmind/reverb

version	toolchain
0.2.0	foss/2020b
0.7.0	foss/2021b

dm-tree

dm-tree provides tree, a library for working with nested data structures. In a way, tree generalizes the builtin map function which only supports flat sequences, and allows to apply a function to each “leaf” preserving the overall structure.

homepage: https://github.com/deepmind/tree

version	toolchain
0.1.1	GCCcore/8.3.0
0.1.5	GCCcore/10.2.0
0.1.6	GCCcore/10.3.0, GCCcore/11.2.0

DMCfun

Diffusion Model of Conflict (DMC) in Reaction Time Tasks

homepage: https://cran.r-project.org/web/packages/DMCfun

version	versionsuffix	toolchain
1.3.0	-R-3.6.2	foss/2019b

DMTCP

DMTCP is a tool to transparently checkpoint the state of multiple simultaneous applications, including multi-threaded and distributed applications. It operates directly on the user binary executable, without any Linux kernel modules or other kernel modifications.

homepage: http://dmtcp.sourceforge.net/index.html

version	toolchain
2.4.5	system
2.5.0	foss/2016a