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pymatgen

Python Materials Genomics is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes.

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

version versionsuffix toolchain
2017.10.16 -Python-2.7.14 intel/2017b
2017.10.16 -Python-3.6.3 intel/2017b
2022.0.4 foss/2020b
2023.12.18 foss/2023a
2023.3.10 foss/2022a
3.5.0 -Python-2.7.11 intel/2016.02-GCC-4.9
4.1.1 -Python-2.7.12 intel/2016b
4.3.2 -Python-2.7.12 intel/2016b
4.7.3 -Python-2.7.13 intel/2017a

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