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  1. KingsburyLab/pyEQL KingsburyLab/pyEQL Public

    A Python library for solution chemistry

    C++ 77 27

  2. materialsproject/pymatgen materialsproject/pymatgen Public

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

    Python 2k 966

  3. materialsproject/maggma materialsproject/maggma Public

    Building blocks for scientific data pipelines

    Python 43 36