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1. bondnet bondnet Public

   A graph neural network for the prediction of bond dissociation energies for molecules of any charge.

   Python 64 14

2. openkim/kliff openkim/kliff Public

   KIM-based Learning-Integrated Fitting Framework for interatomic potentials.

   Python 38 21

3. wengroup/camp wengroup/camp Public

   Cartesian Atomic Moment Potentials -- CAMP

   Python 9 1

4. wengroup/matten wengroup/matten Public

   MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials

   Python 40 6