pnnl / isicle

In silico chemical library engine for high-accuracy chemical property prediction

Date Created 2018-07-26 (5 years ago)

Commits 918 (last one 2 months ago)

Stargazers 57 (0 this week)

Watchers 9 (0 this week)

Forks 19

License bsd-3-clause

Ranking

RepositoryStats indexes 534,880 repositories, of these pnnl/isicle is ranked #396,139 (26th percentile) for total stargazers, and #216,649 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #73,421/103,597.

pnnl/isicle is also tagged with popular topics, for these it's ranked: high-performance-computing (#118/140), molecular-dynamics (#81/106)

Other Information

pnnl/isicle has 1 open pull request on Github, 12 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 15 open issues and 7 closed issues.

All Topics

ion-mobility metabolomics standards-free chemical-shifts quantum-chemistry molecular-dynamics collision-cross-section computational-chemistry density-functional-theory high-performance-computing

Star History

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Watcher History

Github watchers over time, collection started in '23

Recent Commit History

236 commits on the default branch (master) since jan '22

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Issue History

Languages

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

updated: 2024-05-30 @ 12:18pm, id: 142473754 / R_kgDOCH36Gg