Raul

- [x] Added Swish and Mish as possible activation functions. - [x] Added a Gated Linear Unit (GLU) module ( eq. 1 here https://arxiv.org/pdf/1612.08083 ), but the activation function is...

This PR introduces a new optional term to the loss that depends on the gradient of the force. The hope here is that by penalizing large force gradients the resulting...

The argument parsing mechanism assumes that arguments (CLI or in the yaml file) will be processed in always the same order, but Argparse offers no such guarantee. ```python parser.add_argument('--load-model', action=LoadFromCheckpoint,...

We forgot to comment on energy derivatives in the README. cc @peastman

Several features have been included since the last release (last year), should we make a new one? ## What's Changed * Can compute parameter derivatives by @peastman in https://github.com/openmm/openmm-torch/pull/143 *...