Page Comparison

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• David Dotson

• Matt Thompson

• Irfan Alibay

• James Eastwood

• Jenke Scheen

• John Chodera

• Jeffrey Wagner

• Joshua Horton

• Ian Kenney

Recording: https://us02webdrive.zoomgoogle.uscom/recfile/shared/IYJmsCjIIB-G5zTwz1LHwxiC7JcIYqPyeYvByCs-chpgxExELVJMnIoAu9UtbhUx.s16itbJ-84E5Mh08?startTime=17126785650001aiogYhnn1jzz4F33eOFUnqRn-US2xj4r/view?usp=sharing

Goals

• alchemiscale.org

  • DD : alchemiscale 0.4.0 released and deployed Friday 2024.04.05: https://github.com/openforcefield/alchemiscale/releases/tag/v0.4.0

  • user questions / issues / feature requests

  • compute resources status

  • current stack versions:

    • alchemiscale: 0.4.0

    • neo4j: 5.18

    • gufe: 0.9.5

    • openfe: 0.14.0

    • perses: protocol-neqcyc

    • openmmforcefields: 0.12.0

• JS : networks with set higher priority don’t seem to be actioned more than networks with lower priority

• JC : ways to split a single GPU into multiple virtual GPUs on Lilac + Iris?

  • 7 MIG GPUs possible with A100s

    • more less powerful GPUs

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