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choderalab / espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
https://docs.espaloma.org/en/latest/
MIT License
212 stars 23 forks source link

Test newest DGL Version #186

Closed mikemhenry closed 1 year ago

mikemhenry commented 1 year ago

Use the newest DLG version. Once we merge this in we should cut another espaloma release and get it onto conda-forge.

codecov-commenter commented 1 year ago

Codecov Report

:exclamation: No coverage uploaded for pull request base (main@1adbf0b). Click here to learn what that means. The diff coverage is n/a.

Additional details and impacted files
mikemhenry commented 1 year ago

This is ready for review and can be merged in before or after #187

chrisiacovella commented 1 year ago

I'd say merge this first; #187 should have people actually looking at the code.