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Discussion topics

Item

Presenter

Notes

QCFractal releases

Ben

  • A couple of large migrations mid-October targeting

    • setting up for upcoming items

  • Another release Dec. or Jan. with deduplication rework

  • Targeting September for an INCOMPLETE remediation pathway

    • would require some logic in server to create new task for an INCOMPLETE optimization record

Optimizations running

Trevor

  • Seeing optimizations rolling through his manager

    • David: not sure where these are coming from; no datasets error cycling at this time

OpenFF worker docker image (MM tooling)

David

  • Decided we will move the QCFractal openff conda env files to an openff repo, with Dockerhub image builds, etc., since these change as the openff tooling changes and aren’t really coupled to fractal

Action items

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Decisions