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Notes

Updates from MolSSI

  • MolSSI site review went well

Manager maintenance

  • Queue is empty while we work on automation. Remaining incompletes probably won’t be fixed by restarts.

  • Working on lifecycle automation, validation, etc.

  • Protein fragment dataset

    • JW – Could this be submitted soonish? It would be useful to push this through to see whether the outputs will also work in our fitting pipeline

    • DD – Yes, could do this in the next week or two

  • Conda channel access

    • BP – We need to update the psi4 version with some recent changes

    • DD – Need to have access to MolSSI conda channel to pull this in

    • BP – I got access last week.

    • DD – Will update PR with a psi4 dev version

User questions

Action items

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Decisions