theochem / iodata

Python library for reading, writing, and converting computational chemistry file formats and generating input files.

Date Created 2017-08-13 (7 years ago)

Commits 1,569 (last one 5 months ago)

Stargazers 134 (0 this week)

Watchers 10 (0 this week)

Forks 46

License lgpl-3.0

Ranking

RepositoryStats indexes 595,856 repositories, of these theochem/iodata is ranked #240,768 (60th percentile) for total stargazers, and #207,845 for total watchers. Github reports the primary language for this repository as Python, for repositories using this language it is ranked #44,116/119,431.

theochem/iodata is also tagged with popular topics, for these it's ranked: json-schema (#170/290), molecular-dynamics (#53/120), computational-chemistry (#43/106)

Other Information

theochem/iodata has 2 open pull requests on Github, 224 pull requests have been merged over the lifetime of the repository.

Github issues are enabled, there are 31 open issues and 90 closed issues.

There have been 16 releases, the latest one was published on 2024-09-18 (3 months ago)

Homepage URL: https://iodata.readthedocs.io/

All Topics

json-schema data-parsing file-formats input-output file-converter file-conversion quantum-chemistry molecular-dynamics file-format-library molecular-mechanics molecular-simulation computational-biology computational-physics file-format-converter theoretical-chemistry computational-chemistry quantum-chemistry-packages quantum-chemistry-programs molecular-dynamics-simulation molecular-electronic-structure

Star History

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Watcher History

Github watchers over time, collection started in '23

Recent Commit History

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

Yearly Commits

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Issue History

Languages

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

updated: 2024-12-10 @ 11:46am, id: 100189502 / R_kgDOBfjFPg