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Participants

Goals

  • alchemiscale.org

    • 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

  • DD: working with IK on finishing out alchemiscale release 0.5.0

    • includes:

      • openfe + gufe 1.0 compatibility

      • Folding@Home compute support

      • feflow inclusion, drop of perses

    • will be deployed on a new host, new database as api.alchemiscale.org with advance notice to users

      • current alchemiscale.org instance will be moved to api.legacy.alchemiscale.org, kept around for some time, but with no new compute provisioned

  • DD : working on testing MIG splitting on Lilac A100

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