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1. atomate atomate Public

   Forked from hackingmaterials/atomate

   atomate is a powerful software for computational materials science and contains pre-built workflows.

   Python

2. atomate2 atomate2 Public

   Forked from materialsproject/atomate2

   atomate2 is a library of computational materials science workflows

   Python

3. pymatgen-analysis-diffusion pymatgen-analysis-diffusion Public

   Forked from materialyzeai/pymatgen-analysis-diffusion

   This add-on to pymatgen provides tools for analyzing diffusion in materials.

   Python

4. 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 1.8k 943