Page Comparison

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• David Dotson

• Ian Kenney

• Iván Pulido

• Irfan Alibay

• Jeffrey Wagner

Meeting recording: https://drive.google.com/file/d/1RruW2RXuMgkbR43M71AtUMGBWR9iBymD/view?usp=sharing

Goals

• DD : alchemiscale roadmap

  • Q1 : complete “living networks” performance improvements

  • Q1 : Folding@Home compute services deployed in production

    • finish MVP, with integration test suite by 2024.03 2024.06

    • perform FAH tests with volunteers during 2024.04 2024.06

      • public work server up by 2024.03.15 2024.06.11

      • confidential work server up by 2024.04.01 2024.07.01

  • Q2 Q3 : develop Strategy structure, initial implementations

    • aiming to begin design 6/26 sprint, followed by MVP development during July

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

• IP: feflow needs

  • will need feflow to support openfe + gufe 1.0 to use FahNonEquilibriumCyclingProtocol

    • Github link macro
      link https://github.com/choderalab/feflow/pull/38

• alchemiscale development : new sprint spanning 5/29 - 6/10

  • aim is to complete 0.4.1, deploy to alchemiscale.org, including openfe + gufe 1.0:

    Github link macro
    link https://github.com/openforcefield/alchemiscale/milestone/12

  • 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

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