Page Comparison

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• David Dotson

• Jenke Scheen

• Meaghan Osato

• David W.H. Swenson

• Irfan Alibay

• Iván Pulido

• James Eastwood (Unlicensed)

• Levi Naden

• Richard Gowers

• John Chodera

• Ben Ries

• Mike Henry

• Jeffrey Wagner

Recording: https://drive.google.com/file/d/1EKXbAZ2CRgoyP6xz9CeQJyDNVQ_d1U2p/view?usp=drive_link

Goals

• alchemiscale.org user group

  • user questions / issues / feature requests

  • compute resources status

  • call for new users

  • current stack versions:

    • alchemiscale: 0.1.2

    • gufe: 0.7.3

    • openfe: 0.7.4

    • perses: protocol-neqcyc

• JC : follow-up on extends support in RelativeHybridTopologyProtocol and NonEquilibriumCyclingProtocol

• JC + JS : tools needed for AlchemicalNetwork generation?

• IP : Protein-ligand benchmarks working group update

• alchemiscale development : sprint in progress through 5/31 - 6/12

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

  • coordination board : alchemiscale : Phase 2 - User Feedback and Documentation

  • alchemiscale 0.1.3 milestone:

    Github link macro
    link https://github.com/openforcefield/alchemiscale/milestone/6

  • alchemiscale 0.2.0 milestone:

    Github link macro
    link https://github.com/openforcefield/alchemiscale/milestone/4

  • updates on In Review, In Progress, and Available cards

• custom FFs for Protocol execution

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