...
- David Dotson will investigate slow behavior of torsiondrive script for simple molecules; follow up with Xavier Lucas
- Jeffrey Wagner will finish coverage reporter PR prototyped by Joshua Horton
- Jeffrey Wagner will review and merge conformer generation PR prepared by Joshua Horton
- David Dotson will work with David Hahn to address compute issues, find working pathway at Janssen
- David Hahn will fill in analysis instructions in protocol
- Joshua Horton will make it possible for
OptimizationDataset.add_molecule
to leave IDs alone under single-conformer conditions - Joshua Horton will address smirnoff99Frosst-1.1.0 spec failure in QCSubmit
...