pnnl / isicle

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

Date Created 2018-07-26 (6 years ago)

Commits 984 (last one 2 days ago)

Stargazers 58 (0 this week)

Watchers 9 (0 this week)

Forks 19

License bsd-3-clause

Ranking

RepositoryStats indexes 595,856 repositories, of these pnnl/isicle is ranked #425,202 (29th percentile) for total stargazers, and #225,801 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #81,204/119,431.

pnnl/isicle is also tagged with popular topics, for these it's ranked: high-performance-computing (#128/159), molecular-dynamics (#93/120), computational-chemistry (#79/106)

Other Information

pnnl/isicle has Github issues enabled, there are 15 open issues and 7 closed issues.

There have been 2 releases, the latest one was published on 2024-12-19 (2 days ago) with the name v2.0.0-beta.

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

302 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: 2024-12-20 @ 06:38am, id: 142473754 / R_kgDOCH36Gg