Page Comparison

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• David Dotson

• Ian Kenney

• Iván Pulido

• John Chodera

• Jeffrey Wagner

• Mike Henry

Meeting recording: https://drive.google.com/file/d/1HWl7kSuyRZGE3XIKMB-enfCtHXWis0i4/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 2024.07

      • public work server up by 2024.03.15 2024.06.11 2024.07.19

      • confidential work server up by 2024.04.01 2024.07.01 2024.07.31 2024.08.16

  • Q2 Q3 : develop Strategy structure, initial implementations

    • aiming to begin design 6/26 7/10 7/24 sprint, followed by MVP development during July August

  • Q3 : enable automated Strategy execution by end of Q3, 2024 (2024.10.01) mid Q4, 2024 (2024.11.15)

• IP: feflow needs

  • DD: are there any real blockers for a 0.1.0 release? Can many issues in the milestone be resolved over future releases pre-1.0?

    • Github link macro
      link https://github.com/choderalab/feflow/milestone/1

• alchemiscale development : new sprint spanning 7/10 - 7/22

  • aim is to complete 0.5.0, 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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