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openforcefield / openff-qcsubmit

Automated tools for submitting molecules to QCFractal
https://openff-qcsubmit.readthedocs.io/en/latest/index.html
MIT License
26 stars 4 forks source link

Release 0.3.1 #190

Closed dotsdl closed 2 years ago

dotsdl commented 2 years ago

If there is anything blocking a new release of openff-qcsubmit, can we link those issues/PRs here? Otherwise happy to take a swing at cutting a release if we have instructions for it.

jthorton commented 2 years ago

Nothing blocking from my side, the release history however does need updating just noticed it has been missed for the last few releases. I can update it and cut a release if you like?

dotsdl commented 2 years ago

Ah yes, that'd be great! Thank you! Will allow us to deploy on qca-dataset-submission for the fat pubchem sets. :grin:

jthorton commented 2 years ago

Done (finally 🎉 )!

dotsdl commented 2 years ago

Thank you so much @jthorton! Excited to put this into production use to get those big datasets through. :crossed_fingers: