Skip to content

rcdk

Interface to the 'CDK' Libraries

v3.8.2 · Nov 30, 2025 · LGPL

Description

Allows the user to access functionality in the 'CDK', a Java framework for cheminformatics. This allows the user to load molecules, evaluate fingerprints, calculate molecular descriptors and so on. In addition, the 'CDK' API allows the user to view structures in 2D.

Downloads

2.1K

Last 30 days

2858th

6.4K

Last 90 days

33K

Last year

Trend: +8.3% (30d vs prior 30d)

CRAN Check Status

14 OK
Show all 14 flavors
Flavor Status
r-devel-linux-x86_64-debian-clang OK
r-devel-linux-x86_64-debian-gcc OK
r-devel-linux-x86_64-fedora-clang OK
r-devel-linux-x86_64-fedora-gcc OK
r-devel-macos-arm64 OK
r-devel-windows-x86_64 OK
r-oldrel-macos-arm64 OK
r-oldrel-macos-x86_64 OK
r-oldrel-windows-x86_64 OK
r-patched-linux-x86_64 OK
r-release-linux-x86_64 OK
r-release-macos-arm64 OK
r-release-macos-x86_64 OK
r-release-windows-x86_64 OK

Check History

OK 14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Apr 6, 2026
ERROR 13 OK · 0 NOTE · 0 WARNING · 1 ERROR · 0 FAILURE Apr 3, 2026
ERROR r-devel-linux-x86_64-debian-gcc

package dependencies

Packages required but not available: 'rcdklibs', 'rJava'

See section ‘The DESCRIPTION file’ in the ‘Writing R Extensions’
manual.
OK 14 OK · 0 NOTE · 0 WARNING · 0 ERROR · 0 FAILURE Mar 10, 2026

Reverse Dependencies (7)

depends

suggests

Dependency Network

Dependencies Reverse dependencies rcdklibs fingerprint rJava png iterators itertools LipinskiFilters FastRet RxnSim fioRa pubchem.bio rQSAR webchem rcdk

Version History

new 3.8.2 Mar 10, 2026
updated 3.8.2 ← 3.8.1 diff Nov 29, 2025
updated 3.8.1 ← 3.8.0 diff Jul 1, 2023
updated 3.8.0 ← 3.7.0 diff Jun 11, 2023
updated 3.7.0 ← 3.6.0 diff Sep 25, 2022
updated 3.6.0 ← 3.5.0 diff Oct 16, 2021
updated 3.5.0 ← 3.4.7.2 diff Mar 10, 2020
updated 3.4.7.2 ← 3.4.7.1 diff Dec 20, 2019
updated 3.4.7.1 ← 3.4.7 diff Sep 25, 2018
updated 3.4.7 ← 3.4.5 diff Apr 29, 2018
updated 3.4.5 ← 3.4.3 diff Oct 30, 2017
updated 3.4.3 ← 3.3.8 diff Jul 20, 2017
updated 3.3.8 ← 3.3.6 diff Nov 25, 2016
updated 3.3.6 ← 3.3.5 diff Jun 1, 2016
updated 3.3.5 ← 3.3.2 diff May 15, 2016
updated 3.3.2 ← 3.3.1 diff Oct 12, 2014
updated 3.3.1 ← 3.3.0 diff Oct 7, 2014
updated 3.3.0 ← 3.2.9.1 diff Aug 30, 2014
updated 3.2.9.1 ← 3.2.3.2 diff Aug 16, 2014
updated 3.2.3.2 ← 3.2.0.2 diff Oct 6, 2013