Lily Wang
Lily Wang
After looking into these, all warnings come from upstream actions that haven't been updated in a while: * checkout and cache from action-cached-lfs-checkout * not sure which action is using...
Another metadata issue: 'OpenFF Aniline Para Opt v1.0' is incorrectly categorized in the torsiondrive table.
More: - 'OpenFF-multiplicity-correction-torsion-drive-data-v1.1' should be 'OpenFF multiplicity correction torsion drive data v1.1', no dashes. - 'OpenFF-Protein-Capped-3-mer-Omega-v1.0' should be 'OpenFF Protein Capped 3-mer Omega v1.0' - 'OpenFF-RNA-Dinucleoside-Monophosphate-TorsionDrives-v1.0' should be 'OpenFF RNA...
@IAlibay could you please have a look to see if this resolves issue #4749?
I've edited my comment, thanks
There's already a test for numpy arrays but sure
Thanks for the review @orbeckst! I've made some markup changes.
Thanks Irfan, committed the changes you suggested!
Thanks for the reviews @orbeckst and @yuxuanzhuang! Do the updates resolve your concerns?
Closing, this has now been superseded by other PRs!