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Participants
Goals
Dataset replication issue
Discuss Transition Metal Forcefield (TM-FF) project plan
Discuss data longevity project (name may change) with communication with Ben Pritchard and Chris Iacovella
Discussion topics
Item | Presenter | Notes |
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Project updates | JCl | Past week: Next week: |
Project updates | LW | Past week: This/next week: Figuring out sensible default kwargs for Evaluator (primarily around equilibration times and conditions) Trialling several use cases Working out hand-off to infrastructure team ( ? ) and what to do about current gaping holes in code Debugging protein benchmarks
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Action items
Decisions
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