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Discussion topics

linkResources CU provides (that OMSF could to replace):

  • OpenEye license

    • JW added MT to OE license channel on OFF slack

  • Zoom room

    • MT is still being onboarded to OMSF, needs to get added to slack by Karmen, then should have access to omsf-staff channel where JW got a zoom account by asking KCJ.

  • Linux workstation

    • MT – I’m working on an old MBP from grad school, could use a dedicated workstation. Not sure whether to get a beefy tower in my apartment or use remote hosts

    • JW – It may be good to sneak on to a university cluster for big stuff if you choose to go remote. We could also get as-needed allocations for AWS compute, but I’d want to constrain it to make sure it never becomes significant on the org budget.

  • Fix CI

    • openff/toolkit/tests/test_molecule.py::TestMolecule::test_chemical_environment_matches_OE

  • Check on things pushed from last week

  • Item

    Notes

    General updates

    Followups

    Blockers/PRs

    Github link macro

    Followups

    https://github.com/openforcefield/openff-toolkit/pull

    /1182#discussion_r802002617TypedMolecule name

    /1182 (JW responded to remaining blocker)

    Blockers/PRs

    • Vsites

      • JW – I need to get these to you, I understand you’re blocked until I do.

    • TypedMolecule name

    • PRs

      • Elements PR

      • TIP3P OFFXML fix

      • Upstream Topology.__add__

    Action items

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    Decisions