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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 toolchain
2022.0.4 foss/2020b
2023.12.18 foss/2023a
2023.3.10 foss/2022a
2024.5.1 foss/2023b

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