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choderalab
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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
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Rename master branch to main
#127
Closed
mikemhenry
closed
1 year ago
ijpulidos
commented
1 year ago
I think this one is done now. Closing.
I think this one is done now. Closing.