Article · Wikipedia archive · Last revised Jun 1, 2026

RDKit

RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an application programming interface (API) for Python, Java, C++, and C#.

Last revised
Jun 1, 2026
Read time
≈ 1 min
Length
91 w
Citations
1
Source
Wikipedia ↗
RDKit
DeveloperGreg Landrum
Initial release2006 (2006)
Stable release
2023.03.1 / March 30, 2023 (2023-03-30)
Written inC++ and Python
Operating systemLinux, macOS, and Microsoft Windows
PlatformMany
Available inEnglish
TypeChemoinformatics
LicenseBSD License 2.0
Websitewww.rdkit.org
Repository

RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an application programming interface (API) for Python, Java, C++, and C#.1

References

References

  1. Brown, N (2015). "Appendix D: RDKit". In Silico Medicinal Chemistry: Computational Methods to Support Drug Design. [Cambridge]: Royal Society of Chemistry. pp. 199–200. ISBN 978-1-78262-260-4.
External links