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  1. 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 867

  2. 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

  3. twod_materials twod_materials Public

    Forked from ashtonmv/twod_materials

    High throughput workflow tools for characterizing 2D materials in VASP.

    Python 1

  4. MPInterfaces MPInterfaces Public

    Forked from henniggroup/MPInterfaces

    Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and without ligands/solvents).

    Python