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David W.H. Swenson Ben Ries

• Protein serialization update (gufe#45):

  • Github link macro
    link https://github.com/OpenFreeEnergy/gufe/pull/45

• (Last meeting) – Decided that the OpenMM PR isn’t a “must” for the next major OpenMM release. Only GUFE functionality is a “must” for initial OpenFE release.

• JW – Now that OFF Toolkit 0.11 is out with protein-reading functionality, we have effort available to look at further iterations of PDB reading functionality. Spoke with BRies and RGowers - We all want PDB loader that yields bond orders+formal charges. Tentatively planned to work together on a fork of OMM’s PDBReader class.

Iván Pulido

• Nonequilibrium Cycling Protocol (perses#1066) update:

  • Github link macro
    link https://github.com/choderalab/perses/pull/1066

Mike Henry

• ProtocolSettings taxonomy update (gufe#37) update:

  • Github link macro
    link https://github.com/OpenFreeEnergy/gufe/pull/37

Melissa Boby?

• protein-ligand-benchmark - 0.3.0 update

  • Github link macro
    link https://github.com/openforcefield/protein-ligand-benchmark/pull/52

  • IAlibay (earlier on Slack) – I won't be able to join in this week - my update on the PLB side of things is "still working on it", sorry it's been a pretty busy week back but I'll get things done soon.