Page Comparison

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• DD : fah-alchemy - current board status : fah-alchemy : Phase 1 - MVP

  • created 0.1.0 milestone, with outstanding issues required for deployment :

    Github link macro
    link https://github.com/openforcefield/fah-alchemy/milestone/3

  • at 11/15 deadline - requesting extension

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

    • Test suite coverage at 74%.

    • Refactored storage layer to operate in terms of ScopedKeys, greatly reducing complexity, improving performance (no unnecessary serialization/deserialization of large objects to interact with storage layer)

    • Added OAuth2 authentication with JWT tokens, concept of User and Compute identities

    • Still working on required functionality for synchronous ComputeService, which can be run on typical compute resources such as HPC to execute ProtocolDAGs

• DD : help wanted - deployment issues : https://github.com/openforcefield/fah-alchemy/issues?q=is%3Aopen+is%3Aissue+label%3Adeployment

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

  • Github link macro
    link https://github.com/openforcefield/protein-ligand-benchmark/issues/81

    • Adding missing thrombin entries and then good to go

  • Github link macro
    link https://github.com/openforcefield/protein-ligand-benchmark/issues/68

    • Waiting on #81

  • Github link macro
    link https://github.com/openforcefield/protein-ligand-benchmark/issues/69

    • Waiting on one of the networks to return (PR is up)

  • Github link macro
    link https://github.com/openforcefield/protein-ligand-benchmark/issues/77

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

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

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