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Participants

Discussion topics

Item

Notes

Compute management

  • Discuss splitting datasets by molecule size for NRP worker management purposes

Discussion of OpenFF QCA dataset standards

  • PR with draft of new Standards:

  • Slack discussion/summary: https://openforcefieldgroup.slack.com/archives/CFA4NL63E/p1730445385693869?thread_ts=1729699202.251809&cid=CFA4NL63E

  • Finalize discussion of:

    • Filtering out/blacklisting problematic QCAIDs

    • Release vs development datasets

    • Metadata

Action items

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Decisions

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