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  1. pymatgen pymatgen Public

    Forked from materialsproject/pymatgen

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

    Python

  2. dscribe dscribe Public

    Forked from SINGROUP/dscribe

    DScribe is a python package for creating machine learning descriptors for atomistic systems.

    Python