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Description
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
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https://github.com/choderalab/espaloma.git
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espaloma
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https://github.com/choderalab/espaloma
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espaloma.readthedocs.io
espaloma.rtfd.io
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