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1. matbench-discovery matbench-discovery Public

   An evaluation framework for machine learning models simulating high-throughput materials discovery.

   Python 260 80

2. matterviz matterviz Public

   Interactive browser visualizations for materials science: crystal structures/molecules, trajectories, convex hulls, phase diagrams, Fermi surfaces, bands+DOS, Brillouin zones, etc.

   TypeScript 372 51

3. pymatviz pymatviz Public

   A toolkit for visualizations in materials informatics.

   Python 341 44

4. diagrams diagrams Public

   Diagrams of concepts in physics/chemistry/ML

   Typst 712 79

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 2k 977

6. blog blog Public

   My blog.

   Typst 124 19