Pinned Loading

1. FAIR-Chem/fairchem FAIR-Chem/fairchem Public

   FAIR Chemistry's library of machine learning methods for chemistry

   Python 773 242

2. facebookresearch/JMP facebookresearch/JMP Public

   Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.

   Python 38 5

3. 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 857

4. dihedral_model dihedral_model Public

   A stochastic model for generating semiflexible polymer conformations

   Python 1