MolSSI / QCElemental

Periodic table, physical constants, and molecule parsing for quantum chemistry.

Date Created 2018-08-31 (6 years ago)

Commits 955 (last one about a month ago)

Stargazers 154 (0 this week)

Watchers 10 (0 this week)

Forks 72

License bsd-3-clause

Ranking

RepositoryStats indexes 622,366 repositories, of these MolSSI/QCElemental is ranked #224,490 (64th percentile) for total stargazers, and #210,033 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #41,176/126,222.

MolSSI/QCElemental is also tagged with popular topics, for these it's ranked: python (#10,305/23115), chemistry (#65/186), computational-chemistry (#40/108)

Other Information

MolSSI/QCElemental has 15 open pull requests on Github, 254 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 31 open issues and 50 closed issues.

There have been 49 releases, the latest one was published on 2025-01-13 (about a month ago) with the name v0.29.0.

Homepage URL: https://molssi.github.io/QCElemental/

All Topics

nist codata python chemistry standards periodic-table physical-constant quantum-chemistry computational-chemistry

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Recent Commit History

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

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Languages

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

updated: 2025-02-15 @ 04:22pm, id: 146923862 / R_kgDOCMHhVg