choderalab / espaloma

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

Date Created 2020-02-10 (4 years ago)

Commits 760 (last one about a month ago)

Stargazers 211 (0 this week)

Watchers 16 (0 this week)

Forks 25

License mit

Ranking

RepositoryStats indexes 579,555 repositories, of these choderalab/espaloma is ranked #171,031 (70th percentile) for total stargazers, and #136,890 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #30,182/115,123.

Other Information

choderalab/espaloma has 12 open pull requests on Github, 104 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 53 open issues and 36 closed issues.

There have been 9 releases, the latest one was published on 2023-09-22 (about a year ago) with the name Version 0.3.2 - Support Latest DGL Version.

Homepage URL: https://docs.espaloma.org/en/latest/

All Topics

graph-learning forcefield-parameterization

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Recent Commit History

124 commits on the default branch (main) since jan '22

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The primary language is Python but there's also others...

updated: 2024-11-04 @ 09:54pm, id: 239563062 / R_kgDODkdxNg