ChemmineOB

OpenBabel wrapper package for R

https://github.com/girke-lab/chemmineob

Science Score: 36.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • CITATION.cff file
  • codemeta.json file
    Found codemeta.json file
  • .zenodo.json file
    Found .zenodo.json file
  • DOI references
  • Academic publication links
  • Committers with academic emails
    3 of 15 committers (20.0%) from academic institutions
  • Institutional organization owner
  • JOSS paper metadata
  • Scientific vocabulary similarity
    Low similarity (5.8%) to scientific vocabulary

Keywords from Contributors

bioconductor-package bioconductor bioinformatics gene core-package mass-spectrometry genomics bioc cleavage metabolomics
Last synced: 10 months ago · JSON representation

Repository

OpenBabel wrapper package for R

Basic Info
  • Host: GitHub
  • Owner: girke-lab
  • License: other
  • Language: C++
  • Default Branch: master
  • Size: 1.8 MB
Statistics
  • Stars: 10
  • Watchers: 9
  • Forks: 5
  • Open Issues: 3
  • Releases: 3
Created over 12 years ago · Last pushed 11 months ago
Metadata Files
Readme License

README.md

ChemmineOB provides an R interface to a subset of cheminformatics functionalities implemented by the OpenBabel C++ project. OpenBabel is an open source cheminformatics toolbox that includes utilities for structure format interconversions, descriptor calculations, compound similarity searching and more. ChemineOB aims to make a subset of these utilities available from within R. For non-developers, ChemineOB is primarily intended to be used from ChemmineR as an add-on package rather than used directly.

ChemmineOB is hosted on Bioconductor where you can find the Release version and the Development version.

Owner

  • Name: Girke Lab
  • Login: girke-lab
  • Kind: organization
  • Email: thomas.girke@ucr.edu
  • Location: UC Riverside

Research and Teaching Repos

GitHub Events

Total
  • Issues event: 6
  • Watch event: 1
  • Issue comment event: 6
  • Push event: 3
  • Pull request event: 2
  • Fork event: 2
Last Year
  • Issues event: 6
  • Watch event: 1
  • Issue comment event: 6
  • Push event: 3
  • Pull request event: 2
  • Fork event: 2

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 185
  • Total Committers: 15
  • Avg Commits per committer: 12.333
  • Development Distribution Score (DDS): 0.346
Past Year
  • Commits: 8
  • Committers: 3
  • Avg Commits per committer: 2.667
  • Development Distribution Score (DDS): 0.5
Top Committers
Name Email Commits
Kevin Horan k****n@c****u 121
Dan Tenenbaum d****a@f****g 25
Nitesh Turaga n****a@g****m 14
Herve Pages h****s@f****g 6
Hervé Pagès h****s@f****g 4
J Wokaty j****y@s****u 2
J Wokaty j****y 2
vobencha v****a@g****m 2
vobencha v****n@r****g 2
Thomas Girke t****e@u****u 2
Marc Carlson m****n@f****g 1
Martin Morgan m****n@f****g 1
James Hester j****r@f****g 1
LiNk-NY m****9@g****m 1
Sonali Arora s****a@f****g 1
Committer Domains (Top 20 + Academic)

Issues and Pull Requests

Last synced: 10 months ago

All Time
  • Total issues: 42
  • Total pull requests: 5
  • Average time to close issues: 9 months
  • Average time to close pull requests: about 1 year
  • Total issue authors: 25
  • Total pull request authors: 3
  • Average comments per issue: 3.6
  • Average comments per pull request: 0.2
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 3
  • Pull requests: 2
  • Average time to close issues: about 2 months
  • Average time to close pull requests: 5 days
  • Issue authors: 3
  • Pull request authors: 1
  • Average comments per issue: 2.33
  • Average comments per pull request: 0.5
  • Merged pull requests: 0
  • Bot issues: 0
  • Bot pull requests: 0
Top Authors
Issue Authors
  • khoran (9)
  • Aariq (5)
  • tcaceresm (2)
  • kenlo1 (2)
  • sneumann (2)
  • QizhiSu (2)
  • barracuda156 (2)
  • joannazbijewska (1)
  • ethanbass (1)
  • AmiyaKirizi (1)
  • lizzydizzy42 (1)
  • Kupac (1)
  • CLUES-Emory (1)
  • reventropy (1)
  • jarrodscott (1)
Pull Request Authors
  • martin-g (2)
  • jeroen (2)
  • Aariq (2)
Top Labels
Issue Labels
enhancement (8) waiting (3) P1 (1) ChemmineOB (1) design (1)
Pull Request Labels

Packages

  • Total packages: 1
  • Total downloads:
    • bioconductor 231,995 total
  • Total dependent packages: 2
  • Total dependent repositories: 0
  • Total versions: 5
  • Total maintainers: 1
bioconductor.org: ChemmineOB

R interface to a subset of OpenBabel functionalities

  • Versions: 5
  • Dependent Packages: 2
  • Dependent Repositories: 0
  • Downloads: 231,995 Total
Rankings
Dependent repos count: 0.0%
Dependent packages count: 0.0%
Average: 3.0%
Downloads: 9.1%
Maintainers (1)
Last synced: 10 months ago

Dependencies

DESCRIPTION cran
  • R >= 2.15.1 depends
  • methods * depends
  • ChemmineR >= 2.13.0 enhances
  • BiocGenerics * imports
  • Rcpp >= 0.11.0 imports
  • zlibbioc * imports
  • BiocManager * suggests
  • BiocStyle * suggests
  • ChemmineR * suggests
  • knitr * suggests
  • knitrBootstrap * suggests
  • rmarkdown * suggests