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General updates

  • Trello update

  • JW — Re: Water models - I wonder if there’s some better way to state level of endorsement, but I’ve been vacillating for weeks with no conclusion so I think perfect is the enemy of good here. Looks like there may be issues with authoritativeness/provenance, so maybe we fill in the author field with a DOI or something.

  • JW — Re: Releasing “something like rosemary” - Not a bad idea. Could also include example FFs with more recent SMIRNOFF spec changes.

  • JW — I tried running tests locally on the ForceBalance PR for OFFTK 0.11, since some were skipped on CI. Two failures.

  • JW — Sounds like you’re also seeing OpenMM 8 rc problems? Ivan just reported one as well. https://github.com/openmm/openmm/issues/3832

  • Jan 10 - Exscientia collab update



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