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1. torchani torchani Public

   Accurate Neural Network Potential on PyTorch

   Python 432 121

2. aimnet aimnet Public

   Atoms In Molecules Neural Network Potential

   Python 85 25

3. ANI1x_datasets ANI1x_datasets Public

   The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for organic molecules.

   HTML 51 5

4. ani-model-zoo ani-model-zoo Public

   2 2