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1. pic-ai-robotic-chemistry/.github pic-ai-robotic-chemistry/.github Public

2. atomate atomate Public

   Forked from jsyony37/atomate

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

   Python

3. atomate2 atomate2 Public

   Forked from materialsproject/atomate2

   atomate2 is a library of computational materials science workflows

   Python

4. matminer matminer Public

   Forked from hackingmaterials/matminer

   Data mining for materials science

   HTML

5. 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 862

6. materialsvirtuallab/pymatgen-analysis-diffusion materialsvirtuallab/pymatgen-analysis-diffusion Public

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

   Python 95 56