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- David Dotson will continue preparations of TorsionDrive dataset for protein fragments
- Joshua Horton will test the most recent linux build of
psi4to see if it meets our needs for PCM-based implicit solvent usage - Ben Pritchard will discuss QCElemental#230 with Lori Burns to determine path forward, since it appears to be a blocker for ESP usage
- David Dotson will reach out to Adrian Roitberg and others in his group for advice on their approach for active learning to train ANI2x. Perhaps we can benefit from a similar approach?
- Everyone will consider what would be needed for a feedback loop of automated FF coverage gap identification, torsion prioritization, submission generation over the next week
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