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Participants

Goals

  • alchemiscale.org user group

  • user questions / issues / feature requests

  • results to share?

  • compute resources status

  • call for new users

  • current stack versions:

    • alchemiscale: 0.1.4

    • gufe: 0.9.1

    • openfe: 0.11.0

    • perses: protocol-neqcyc

  • IP : Protein-ligand benchmarks working group update

  • alchemiscale development : current sprint runs 8/23 - 9/4

    • current aim is to complete release 0.2.0 by end of this sprint, includes first round of documentation

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

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

    • alchemiscale 0.2.0 milestone:

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

  • new discussion items from ASAP roadmap: https://asapdiscovery.notion.site/Computational-Chemistry-Core-alchemiscale-related-roadmap-9052f215437246f9be4a11abd10f6d71

Discussion topics

Notes

  • alchemiscale.org user group

  • user questions / issues / feature requests

  • results to share?

  • compute resources status

  • call for new users

  • current stack versions:

    • alchemiscale: 0.1.4

    • gufe: 0.9.1

    • openfe: 0.11.0

    • perses: protocol-neqcyc

  • IP : Protein-ligand benchmarks working group update

  • alchemiscale development : current sprint runs 8/23 - 9/4

    • current aim is to complete release 0.2.0 by end of this sprint, includes first round of documentation

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

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

    • alchemiscale 0.2.0 milestone:

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

Action items

  •  

Decisions

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