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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
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Update README.md Install Steps #198

Open mikemhenry opened 11 months ago

mikemhenry commented 11 months ago

Fixes #195

codecov-commenter commented 11 months ago

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Additional details and impacted files
mattwthompson commented 11 months ago

Purely out of curiosity, how far away is Espaloma from running natively on Apple Silicon? I assume it's a few of the dependencies

mikemhenry commented 5 months ago

We did get DGL cross compiled, so other deps might need work but soon :tm: