...
- David Dotson will build out skeleton test suite for
openff-benchmark optimize
command tree, usingopenff-qcsubmit
QCFractal usage as inspiration; prioritize needs for export PR (openff-benchmark
#62) - Jeffrey Wagner will put together PR for proton transfer detection on QM results
- David Hahn will reach out to Bill Swope to get him started with testing the
openff-benchmark schrodinger
optimization pathway; David Dotson plans to join working meeting - David Dotson will reach out to Gary asking for 3/24 meeting agenda; propose Season 2 timeline and content as an agenda item
- David Dotson and Jeffrey Wagner will aim for Friday release with export fix (#62) and proton transfer detection
...