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 758 (last one 2 months ago)

Stargazers 202 (0 this week)

Watchers 17 (0 this week)

Forks 23

License mit

Ranking

RepositoryStats indexes 536,158 repositories, of these choderalab/espaloma is ranked #167,413 (69th percentile) for total stargazers, and #126,578 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #28,987/103,873.

Other Information

choderalab/espaloma has 14 open pull requests on Github, 102 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 51 open issues and 36 closed issues.

There have been 9 releases, the latest one was published on 2023-09-22 (9 months 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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Github watchers over time, collection started in '23

Recent Commit History

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

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

updated: 2024-07-02 @ 11:28am, id: 239563062 / R_kgDODkdxNg