You are viewing an old version of this page. View the current version.
Compare with Current View Page History
« Previous Version 2 Next »
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
Organizing FF fitting repos on GH
0 Comments