Pinned

1. matbench-discovery matbench-discovery Public

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

   Python 69 6

2. elementari elementari Public

   Interactive browser visualizations for materials science: periodic tables, 3d crystal structures, Bohr atoms, nuclei, heatmaps, scatter plots.

   TypeScript 124 10

3. awesome-normalizing-flows awesome-normalizing-flows Public

   Awesome resources on normalizing flows.

   Python 1.3k 116

4. pymatviz pymatviz Public

   A toolkit for visualizations in materials informatics.

   Python 119 9

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 1.4k 825

6. CederGroupHub/chgnet CederGroupHub/chgnet Public

   Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

   Python 191 45