RDKit¶
RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
homepage: https://www.rdkit.org
| version | versionsuffix | toolchain |
|---|---|---|
2018.09.3 |
-Python-3.6.6 |
intel/2018b |
2019.09.3 |
-Python-3.7.4 |
foss/2019b |
2020.03.3 |
-Python-3.8.2 |
foss/2020a |
2020.03.3 |
-Python-3.8.2 |
intel/2020a |
2020.09.3 |
-Python-3.7.4 |
foss/2019b |
2021.03.4 |
foss/2021a |
|
2022.03.5 |
foss/2021b |
|
2022.09.4 |
foss/2022a |
|
2023.03.3 |
foss/2021a |
|
2024.03.3 |
foss/2023a |
(quick links: (all) - 0 - 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)