openmm / openmm-torch

OpenMM plugin to define forces with neural networks
185 stars 24 forks source link

Add energy derivatives to README #145

Closed RaulPPelaez closed 3 months ago

RaulPPelaez commented 6 months ago

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

RaulPPelaez commented 3 months ago

I addressed your comments, @peastman, please review again.

peastman commented 3 months ago

That looks good. Thanks!