jla-gardner / graph-pes

train and use graph-based ML models of potential energy surfaces

Date Created 2023-10-09 (about a year ago)

Commits 246 (last one 2 days ago)

Stargazers 64 (2 this week)

Watchers 1 (0 this week)

Forks 3

License mit

Ranking

RepositoryStats indexes 595,890 repositories, of these jla-gardner/graph-pes is ranked #397,830 (33rd percentile) for total stargazers, and #544,619 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #75,710/119,419.

jla-gardner/graph-pes is also tagged with popular topics, for these it's ranked: deep-learning (#6,295/8511), machine-learning (#5,989/8062), framework (#1,455/1827), chemistry (#131/179)

Other Information

jla-gardner/graph-pes has Github issues enabled, there are 2 open issues and 7 closed issues.

There have been 4 releases, the latest one was published on 2024-12-19 (2 days ago) with the name 0.0.17.

Homepage URL: https://jla-gardner.github.io/graph-pes/

All Topics

chemistry framework force-fields deep-learning machine-learning

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Github watchers over time, collection started in '23

Recent Commit History

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

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

updated: 2024-12-20 @ 10:47pm, id: 702363733 / R_kgDOKd04VQ