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1. matbench-discoverymatbench-discoveryPublic

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

   Python 212 54

2. mattervizmattervizPublic

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

   TypeScript 303 29

3. pymatvizpymatvizPublic

   A toolkit for visualizations in materials informatics.

   Python 298 38

4. diagramsdiagramsPublic

   Diagrams of concepts in physics/chemistry/ML

   Typst 423 57

5. materialsproject/pymatgenmaterialsproject/pymatgenPublic

   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 932

6. blogblogPublic

   My blog.

   Svelte 124 21