...
- Joshua Horton will spin up some
xtbworkers on Newcastle HPC - David Dotson will spin up some ANI workers on PRP
- David Dotson will fire off more high-memory jobs on Lilac
- David Dotson will pull
openff-qcsubmit#172 to completion, given new QCFractal release - David Dotson will prepare a single-points dataset using the final geometries of Willa’s optimization dataset
- David Dotson will draft implementation of wavefunction retention for final geometry
ResultRecord - Jeffrey Wagner will follow-up with Joshua Horton on
openff-toolkit#1086 - Pavan Behara will draft first OpenMM ML dataset submission; reach out to group if issues encountered
...