Page Comparison

Participants

Goals

• PortalClient Training

• MolSSI QCArchive user group

  • user questions / issues / feature request

  • server instance statuses

    • QCArchive Legacy

    • QCArchive OpenFF

      • currently retains everything from Legacy

    • QCArchive ML

    • QCArchive Validation

  • compute resources statuses

  • call for new users

  • trainings

    • upcoming PortalClient trainings

    • upcoming compute manager trainings

  • deployed stack versions:

    • QCArchive Legacy

      • 0.15.8.1

    • QCArchive OpenFF

      • 0.50.0b11

    • QCArchive ML

      • 0.50.0b12

    • QCArchive Validation

      • 0.50.0b12

• New datasets

  • SPICE 2.0

  • OpenFF Optimization Diverse Fragments with Iodine (w/ ESPs)

  • OpenFF Optimization Hypervalent Sulfurs (w/ ESPs)

  • OpenFF DNA

• Updates from stakeholders

  • OpenFF

  • Genentech

  • MolSSI

• QCFractal development : sprint begins …

  • QCFractal v0.50.0 - imminent

  • v0.70.0 milestone:

• Additional business

  • MolSSI QCArchive Working Group start date: 8/29

Discussion topics

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