Pinned Loading

1. torchani torchani Public

   Accurate Neural Network Potential on PyTorch

   Python 498 135

2. aimnet aimnet Public

   Atoms In Molecules Neural Network Potential

   Python 105 27

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 64 5

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

   4 2