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conda-forge.org : espaloma

Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

Registry - Source - JSON
purl: pkg:conda/espaloma
Keywords: forcefield-parameterization, graph-learning
License: MIT
Latest release: over 1 year ago
First release: about 2 years ago
Stars: 123 on GitHub
Forks: 14 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 19 days ago

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