Closed wiederm closed 10 months ago
Implement a set of models that can learn energies/forces from a training dataset. We want to abstract common operations and provide them in a separate module, the NNP implementation should import these operations and apply them.
Implement a set of models that can learn energies/forces from a training dataset. We want to abstract common operations and provide them in a separate module, the NNP implementation should import these operations and apply them.