Pinned Loading

1. torchani torchani Public

   TorchANI 2.0 is an open-source library that supports training, development, and research of ANI-style neural network interatomic potentials. It was originally developed and is currently maintained …

   Python 552 139

2. aimnet aimnet Public

   Atoms In Molecules Neural Network Potential

   Python 108 29

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 68 7

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

   5 2