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  1. materialsproject/pymatgen-io-validation materialsproject/pymatgen-io-validation Public

    Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, with possible future expansion to cover other DFT codes.

    Python 12 2

  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 1.5k 871

  3. materialsproject/atomate2 materialsproject/atomate2 Public

    atomate2 is a library of computational materials science workflows

    Python 170 99

  4. ASMADA ASMADA Public

    Automatic Shape Memory Alloy Data Analyzer (ASMADA)

    Python 5