2024-03-19 alchemiscale : dev group meeting notes

Participants

Goals

• DD : alchemiscale roadmap

  • Q1 : complete “living networks” performance improvements

    • nearly complete; will appear in release 0.4.0

  • Q1 : Folding@Home compute services deployed in production

    • finish MVP, with integration test suite by 2024.03 2024.04

      • this is delayed; need an additional 2 weeks to finish this out

    • perform FAH tests with volunteers during 2024.03

      • public work server up by 2024.03.15 2024.04.15

      • confidential work server up by 2024.04.01 2024.05.01

  • Q2 : develop Strategy structure, initial implementations

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

• DD : alchemiscale-fah : NonEquilibriumCycling execution demo

• MH : status of openfe + gufe 1.0 testing with alchemiscale main

• DD : necessary to deploy current release of openfe + gufe?

• alchemiscale development : new sprint spanning 3/20 - 4/1

  • 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

• DD : aiming for release 0.4.0 by end of this sprint

  • includes a ton of performance improvements from Ian Kenney, support for needs in alchemiscale-fah from David Dotson

  • will substitute feflow in place of perses

• IP: feflow release plans?

Discussion topics

Action items

Decisions