R Observatory: Metrics for rcdklibs version 2.9

Balamuta, James Joseph

doi:10.5281/zenodo.21843040

rcdklibs

2.9

The CDK Libraries Packaged for R

2packages depend

29.9Kdownloads / year

–test coverage

13/13checks pass

Overview

About

Maintained by Zachary Charlop-PowersFirst published 2009-01-0824 releasesCRAN page ↗

An R interface to the Chemistry Development Kit, a Java library for chemoinformatics. Given the size of the library itself, this package is not expected to change very frequently. To make use of the CDK within R, it is suggested that you use the 'rcdk' package. Note that it is possible to directly interact with the CDK using 'rJava'. However 'rcdk' exposes functionality in a more idiomatic way. The CDK library itself is released as LGPL and the sources can be obtained from https://github.com/cdk/cdk.

Install

R (CRAN)Ubuntu (r2u)Fedora (COPR)openSUSE (OBS)

install.packages("rcdklibs", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-rcdklibs

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

# enable the iucar/cran COPR if it is not already present, then install
ls /etc/yum.repos.d/*iucar*cran*.repo >/dev/null 2>&1 \
  || sudo dnf copr enable -y iucar/cran
sudo dnf install -y R-CRAN-rcdklibs

RPMs from the iucar/cran COPR, rebuilt from CRAN.

For install.packages() integration in R, also: sudo dnf install R-CoprManager

# add the autoCRAN OBS repo (Tumbleweed) if it is missing, then install
zypper -q lr | grep -qi autoCRAN \
  || sudo zypper addrepo https://download.opensuse.org/repositories/devel:/languages:/R:/autoCRAN/openSUSE_Tumbleweed/devel:languages:R:autoCRAN.repo
sudo zypper install -y R-rcdklibs

RPMs auto-built from CRAN on openSUSE OBS (Tumbleweed).

Health

CRAN checks

13OK

Slowest check: 1.1 min · r-devel-windows-x86_64

Code health

None

Tests · ratio 0.00

not tracked

Coverage

1

Dependencies · direct

Check history

OK2026-08-05
13 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
NOTE2026-08-01
12 OK · 1 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
OK2026-04-25
12 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
NOTE2026-04-06
11 OK · 3 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE
ERROR2026-04-04
10 OK · 3 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE

Show 1 earlier snapshots

NOTE2026-03-10
11 OK · 3 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE

Documentation

READMEYes · 138 wordsVignettesNopkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 100%
Documented parameters: not tracked
Return-value docs: not tracked
References docs: 0%

Downloads

29.9K

CRAN downloads in the past year

Rank #3,182 · ~82/day · ~2.5K/mo

Releases R versions

Daily download trend is not available in this view yet.

1.1K30 days

3.7K90 days

29.9K1 year

Compare downloads with other packages →

Also on662 r2u5 autocran1.9K conda_forge85 c2d4u

Repository

GitHub ↗ cdk-r/rcdklibs

1Stars

3Forks

1Open issues

0Open PRs

0Releases

96Commits

8Contributors

96 commits · Last activity 2025-11-30

Stars over time

2018-12-13 · 12026-07-07 · 1

Repository practices

Upstream repositoryBeta

4 development-tooling and community-health practices detected across 4 families in the upstream repository

Checks run against github.com/cdk-r/rcdklibs on 2026-08-23.

Continuous integration (1)

GitHub Actions

Reproducibility and dev environment (1)

Makefile

CRAN release process (1)

cran-comments.md

Docs source (1)

README.Rmd

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

1 external dependency (excludes base and recommended)

Depends (2)

R >= 2.0.0rJava

Imports (0)

none

LinkingTo (0)

none

Suggests (0)

none

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

2direct

8indirect

rcdk REFT

Code & Tests

People & History

People (3)

Maintainer (1)

Zachary Charlop-Powers

Maintainer · added in 1.5.13

Authors (1)

Rajarshi Guha

Author

Contributors (1)

CDK Project

Contributor, Copyright holder · added in 1.5.8.3

Copyright holders (1)

CDK Project

Contributor, Copyright holder · added in 1.5.8.3

Package Timeline

24 releases. Pick two to compare their code metrics. R releases are shown for context.

R
R 4.6.0 released · 2026-04-24
R
R 4.5.0 released · 2025-04-11
R
R 4.4.0 released · 2024-04-24
2.9Latest
2024-03-03 · current release · diff ↗
R
R 4.3.0 released · 2023-04-21
2.8
2022-09-26 · diff ↗
R
R 4.2.0 released · 2022-04-22
R
R 4.1.0 released · 2021-05-18
R
R 4.0.0 released · 2020-04-24
2.3
2020-03-08 · diff ↗
R
R 3.6.0 released · 2019-04-26
R
R 3.5.0 released · 2018-04-23
2.0
2017-06-11 · diff ↗
R
R 3.4.0 released · 2017-04-21
1.5.13
2016-05-16 · diff ↗
R
R 3.3.0 released · 2016-05-03

Show 30 earlier events

R
R 3.2.0 released · 2015-04-16
1.5.8.4
2014-08-31 · diff ↗
1.5.8.3
2014-08-17 · diff ↗
R
R 3.1.0 released · 2014-04-10
1.5.4
2013-10-07 · diff ↗
R
R 3.0.0 released · 2013-04-03
1.5.0.3
2013-03-15 · diff ↗
1.5.0
2012-06-20 · diff ↗
R
R 2.15.0 released · 2012-03-30
1.4.7
2012-02-27 · diff ↗
1.4.5
2011-11-02 · diff ↗
R
R 2.14.0 released · 2011-10-31
1.4.1
2011-07-23 · diff ↗
1.3.11
2011-06-19 · diff ↗
R
R 2.13.0 released · 2011-04-13
1.3.6.3
2010-10-23 · diff ↗
R
R 2.12.0 released · 2010-10-15
1.3.6.2
2010-10-12 · diff ↗
1.3.6.1
2010-09-29 · diff ↗
1.3.6
2010-09-25 · diff ↗
1.3.4.2
2010-05-06 · diff ↗
R
R 2.11.0 released · 2010-04-22
1.2.3
2009-11-01 · diff ↗
1.2.2
2009-10-29 · diff ↗
R
R 2.10.0 released · 2009-10-26
R
R 2.9.0 released · 2009-04-17
1.2.1
2009-02-23 · diff ↗
1.2
2009-01-28 · diff ↗
1.1
2009-01-08
R
R 2.8.0 released · 2008-10-20

Package metadata

First published: 2009-01-08
Total releases: 24 / 17 yrs
License: LGPL
Minimum R: ≥ 2.0.0
Download size: 19 MB
Installed size: not tracked yet
With dependencies: not tracked yet

Appears in task views

Chemometrics and Computational Physics

Cite

Cite this package

Run in R for the authors' preferred citation:

citation("rcdklibs")

Format

Charlop-Powers, Z., CDK Project, & Guha, R. (2024). rcdklibs: The CDK Libraries Packaged for R (Version 2.9) [Computer software]. https://doi.org/10.32614/CRAN.package.rcdklibs

This is what citation() produces when a package has no citation file of its own. If it prints something else, use that.

Cite the R Observatory

For a number measured here: a download total, a coverage figure, an archival date.

Format

APA

Balamuta, J. J. (2026). R Observatory: Metrics for rcdklibs version 2.9 [Data set]. HJJB, LLC. Data release v2026-08-24. https://doi.org/10.5281/zenodo.21843040

From data release v2026-08-24, which the citation names so these numbers can be found later. More on citing and the projects behind them.

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