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Participants

Goals

  • DD : fah-alchemy - current board status

    • two weeks out from Nov. 1 deadline

    • fah-alchemy : Phase 1 - MVP

    • David Dotson development effort now focused on FahAlchemyAPIServer, FahAlchemyClient, and FahAlchemyComputeServer

      • Currently implementing task queue system; FahAlchemyComputeService instances pull from this for work to do, and use it as the basis for pushing results back

      • Building out test suite for fah-alchemy; tests with Docker-based neo4j in CI now working

        • using openfe-benchmark networks while we work toward protein-ligand-benchmark 0.3.0

  • IA : protein-ligand-benchmark : blockers and priorities

  • IP : Nonequilibrium Cycling Protocol (perses#1066) update:

    • Still refactoring RelativeFEPSetup to accept single phases and optional receptor.

  • MH : ProtocolSettings taxonomy (gufe#37) update:

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