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update readme
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mikemhenry committed Jul 13, 2023
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espaloma: **E**xtensible **S**urrogate **P**otenti**al** **O**ptimized by **M**essage-passing **A**lgorithms 🍹
==============================
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Source code for [Wang Y, Fass J, and Chodera JD "End-to-End Differentiable Construction of Molecular Mechanics Force Fields."](https://arxiv.org/abs/2010.01196)

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