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1. CederGroupHub/smol CederGroupHub/smol Public

   Statistical Mechanics on Lattices

   Python 100 19

2. CederGroupHub/sparse-lm CederGroupHub/sparse-lm Public

   Sparse Linear Regression Models

   Python 21 7

3. CederGroupHub/chgnet CederGroupHub/chgnet Public

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

   Python 412 101

4. facebookresearch/fairchem facebookresearch/fairchem Public

   FAIR Chemistry's library of machine learning methods for chemistry

   Python 2.3k 510

5. matgl matgl Public

   Forked from materialyzeai/matgl

   Graph deep learning library for materials

   Python 1

6. fmm fmm Public

   Fast Multipole Method in Python

   Jupyter Notebook 33 8