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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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Add quick start to README
#131
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mikemhenry
closed
11 months ago
mikemhenry
commented
11 months ago
Done!
Done!