Page Comparison

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• David Dotson

• Richard Gowers

• Ian Kenney

• Joshua Horton

• Mike Henry

• Jeffrey Wagner

Recording: https://drive.google.com/file/d/11AsOOgFXoqb-pSP1uvHXAAuxE2jzIJN9/view?usp=sharing

Goals

• DD : alchemiscale roadmap

  • Q1 : complete “living networks” performance improvements

    • remove py2neo, replace with official neo4j python driver

      Github link macro
      link https://github.com/openforcefield/alchemiscale/issues/144

    • optimize compute claiming code path

      Github link macro
      link https://github.com/openforcefield/alchemiscale/issues/121

  • Q1 : Folding@Home compute services deployed in production

    • finish MVP, with integration test suite by 2024.03

    • perform FAH tests with volunteers during 2024.03

      • public work server up by 2024.03.15

      • confidential work server up by 2024.04.01

  • Q2 : develop Strategy structure, initial implementations

  • Q3 : enable automated Strategy execution by end of Q3, 2024 (2024.10.01)

• alchemiscale development : new sprint spanning 2/7 - 2/20

  • architecture overview : https://drive.google.com/file/d/1ZA-zuqrhKSlYBEiAIqxwNaHXvgJdlOkT/view?usp=share_link

  • coordination board : alchemiscale : Phase 3 - Folding@Home, new features, optimizations, targeted refactors

• IK : KeyedChains in gufe?

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