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Open Sustainable Technology

https://github.com/openbabel/openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
https://github.com/openbabel/openbabel

Keywords

c-plus-plus chemical-data chemical-toolbox cheminformatics chemistry

Keywords from Contributors

computational-chemistry bioinformatics open-science qt5 openchemistry desktop compchem avogadro convolutional-neural-networks molecular-dynamics

Last synced: 11 months ago
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Acceptance Criteria

Repository metadata

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

Owner metadata

Committers metadata

Last synced: 11 months ago

Total Commits: 5,311
Total Committers: 170
Avg Commits per committer: 31.241
Development Distribution Score (DDS): 0.759

Commits in past year: 25
Committers in past year: 8
Avg Commits per committer in past year: 3.125
Development Distribution Score (DDS) in past year: 0.72

Name Email Commits
Geoffrey Hutchison g****f@g****t 1278
Noel O'Boyle b****h@g****m 1118
Tim Vandermeersch t****h@g****m 590
Chris Morley c****y@g****k 502
Geoff Hutchison g****n@g****m 252
David Koes d****s@p****u 153
Reinis Danne r****n@g****m 109
Michael Banck m****k@g****t 103
Marcus D. Hanwell m****s@c****g 80
David Lonie l****d@g****m 69
Matt Swain m****n@m****m 66
xomachine x****r@g****m 48
Fabien Fontaine f****e@g****m 45
Eisuke Kawashima e****m 44
Alexandr Fonari a****i@g****m 41
Jean Brefort j****t@n****g 40
Konstantin Tokarev a****n@y****u 37
Naruki Yoshikawa n****a@g****m 32
Patrick Fuller p****r@g****m 28
Daniel Leidert d****m@g****t 25
Vincent Favre-Nicolin v****n@u****t 25
Donald Ephraim Curtis d****3@s****t 24
Benoit Jacob j****1@g****m 21
Craig James c****s@e****m 21
David van der Spoel s****l@x****e 17
Fredrik Wallner f****k@w****u 17
Peter Murray-Rust p****6@c****k 16
Sasha Fonari f****i@s****m 15
Maciek Wójcikowski m****k@w****l 15
Ben Bucior b****r@u****u 15
and 140 more...

Committer domains:

Issue and Pull Request metadata

Last synced: 11 months ago

Total issues: 171
Total pull requests: 56
Average time to close issues: 3 months
Average time to close pull requests: 3 months
Total issue authors: 135
Total pull request authors: 25
Average comments per issue: 4.21
Average comments per pull request: 1.89
Merged pull request: 24
Bot issues: 0
Bot pull requests: 1

Past year issues: 83
Past year pull requests: 27
Past year average time to close issues: 8 days
Past year average time to close pull requests: about 1 month
Past year issue authors: 66
Past year pull request authors: 12
Past year average comments per issue: 3.43
Past year average comments per pull request: 1.52
Past year merged pull request: 15
Past year bot issues: 0
Past year bot pull requests: 0

More stats: https://issues.ecosyste.ms/repositories/lookup?url=https://github.com/openbabel/openbabel

Top Issue Authors

  • nbehrnd (7)
  • e-kwsm (5)
  • correaa (4)
  • ivzzognam (4)
  • yurivict (4)
  • FLessi (3)
  • tgupta2222 (3)
  • kmlefran (2)
  • cwolcott (2)
  • chris9672 (2)
  • flatstik (2)
  • SteelDominic (2)
  • ivok2002 (2)
  • vaitkus (2)
  • Mblakey (2)

Top Pull Request Authors

  • fredrikw (9)
  • ghutchis (7)
  • e-kwsm (7)
  • Mblakey (5)
  • romanbsd (4)
  • correaa (3)
  • dkoes (2)
  • timvdm (2)
  • lgtm-com[bot] (1)
  • ostueker (1)
  • super7ramp (1)
  • gfzhou (1)
  • flatstik (1)
  • ileontyev (1)
  • DStarEpoch (1)

Top Issue Labels

  • good first issue (2)

Top Pull Request Labels

Package metadata

conda-forge.org: openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas.

  • Homepage: http://openbabel.org/
  • Licenses: GPL-2.0-only
  • Latest release: 3.1.1 (published over 3 years ago)
  • Last Synced: 2024-06-11T20:26:20.849Z (11 months ago)
  • Versions: 4
  • Dependent Packages: 24
  • Dependent Repositories: 86
  • Rankings:
    • Dependent packages count: 2.79%
    • Dependent repos count: 3.718%
    • Average: 7.326%
    • Forks count: 8.52%
    • Stargazers count: 14.275%
pypi.org: csm

The Continuous Symmetry Measure

  • Homepage: http://www.csm.huji.ac.il/new/
  • Documentation: https://csm.readthedocs.io/
  • Licenses: Chelem
  • Latest release: 1.3.1 (published almost 3 years ago)
  • Last Synced: 2024-06-11T20:24:47.767Z (11 months ago)
  • Versions: 2
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 44 Last month
  • Rankings:
    • Dependent packages count: 6.633%
    • Average: 21.807%
    • Downloads: 28.177%
    • Dependent repos count: 30.611%
  • Maintainers (4)
formulae.brew.sh: open-babel

Chemical toolbox

  • Homepage: https://github.com/openbabel/openbabel
  • Licenses: GPL-2.0-only
  • Latest release: 3.1.1 (published about 3 years ago)
  • Last Synced: 2024-06-11T20:24:45.855Z (11 months ago)
  • Versions: 1
  • Dependent Packages: 0
  • Dependent Repositories: 1
  • Downloads: 142 Last month
  • Rankings:
    • Dependent packages count: 19.441%
    • Downloads: 24.558%
    • Average: 24.609%
    • Dependent repos count: 29.829%

Dependencies

scripts/R/examples/openbabelR/DESCRIPTION cran
  • R >= 2.15.1 depends
.github/workflows/build_bindings.yml actions
  • actions/checkout v2 composite
  • actions/upload-artifact v2-preview composite
.github/workflows/build_cmake.yml actions
  • actions/checkout v2 composite
  • actions/upload-artifact v1 composite
  • ilammy/msvc-dev-cmd v1 composite
  • mxschmitt/action-tmate v3 composite
.github/workflows/lint_python.yml actions
  • actions/checkout v2 composite
  • actions/setup-python v2 composite
.github/workflows/misspell-fixer.yml actions
  • actions/checkout v2 composite
  • peter-evans/create-pull-request v3.8.0 composite
  • sobolevn/misspell-fixer-action master composite
scripts/perl/META.yml cpan
scripts/python/setup.py pypi

Score: 18.244750280542966