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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 2k 977

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