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Participants

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Notes

General updates

  • JW – OpenFF is running a series of “follow up workshops” to our annual meeting - First one is in ~5 hours and focuses on advanced toolkit usage to simulate a protein with a PTM. Second one is in ~24 hours and covers usage of Interchange. No RSVP is needed - See this page for details.

David W.H. Swenson Ben Ries

  • Protein serialization update (gufe#45):

Iván Pulido

Nonequilibrium Cycling Protocol (perses#1066) update:

  • Component objects attributes for proteins, small molecules and solvent.

Mike Henry

  • ProtocolSettings taxonomy update (gufe#37) update:

Melissa Boby/ Iván Pulido

  • protein-ligand-benchmark - 0.3.0 update

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