# RDKit

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> Source: https://en.wikipedia.org/wiki/RDKit
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Open-source toolkit for cheminformatics

RDKit Developer Greg Landrum Release 2006; 20 years ago (2006) Stable release 2023.03.1 / March 30, 2023; 3 years ago (2023-03-30) Written in C++ and Python Operating system Linux, macOS, and Microsoft Windows Platform Many Available in English Type Chemoinformatics License BSD License 2.0 Website www.rdkit.org Repository github.com/rdkit/rdkit

**RDKit** is [open-source](/source/Open-source) toolkit for [cheminformatics](/source/Cheminformatics). It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community. It has an [application programming interface](/source/Application_programming_interface) (API) for [Python](/source/Python_(programming_language)), [Java](/source/Java_(programming_language)), [C++](/source/C%2B%2B), and [C#](/source/C_Sharp_(programming_language)).[1]

## References

1. **[^](#cite_ref-1)** Brown, N (2015). ["Appendix D: RDKit"](https://books.google.com/books?id=-mooDwAAQBAJ&dq=RDKit&pg=PA200). *In Silico Medicinal Chemistry: Computational Methods to Support Drug Design*. [Cambridge]: Royal Society of Chemistry. pp. 199–200. [ISBN](/source/ISBN_(identifier)) [978-1-78262-260-4](https://en.wikipedia.org/wiki/Special:BookSources/978-1-78262-260-4).

## External links

- [Official website](https://www.rdkit.org/)

- [Rdkit](https://github.com/rdkit) on [GitHub](/source/GitHub)

v t e Computational chemistry software Cheminformatics Open source Bioclipse Blue Obelisk Chemistry Development Kit ECCE JOELib OELib Open Babel RDKit Proprietary AlvaDesc Canvas Chemicalize Discovery Studio OEChem TK Chemical kinetics Open source APBS Cantera KPP Proprietary Autochem Chemical WorkBench CHEMKIN COSILAB DelPhi Khimera Molecular modelling, visualization List of molecular graphics systems Open source Ascalaph Designer Avogadro BALL Biskit Gabedit Ghemical Jmol Molekel PyMOL QuteMol RasMol Proprietary Abalone ACD/ChemSketch Atomistix ToolKit ChemDraw ChemWindow EzMol Gaussian Maestro MarvinSketch MarvinView MODELLER Molecular Operating Environment SAMSON Spartan UCSF Chimera VIDA VMD Molecular docking List of protein-ligand docking software Open source AutoDock AutoDock Vina FlexAID rDock Proprietary Glide LeDock Molecular Operating Environment OEDocking Molecular dynamics Open source CP2K GROMACS LAMMPS OpenMM PLUMED Proprietary Abalone AMBER CHARMM CPMD Desmond GROMOS NAMD Quantum chemistry List of quantum chemistry and solid-state physics software Open source ABINIT ACES (CFOUR) AIMAll BigDFT COLUMBUS CONQUEST CP2K Dalton DIRAC DP code FLEUR FreeON MADNESS MOPAC MPQC NWChem Octopus ORCA (academic) OpenMolcas PARSEC PSI PyQuante PySCF Quantum ESPRESSO (PWscf) RMG SIESTA VB2000 YAMBO code Proprietary ADF AMPAC DMol3 CADPAC CASINO CASTEP CPMD CRUNCH CRYSTAL FHI-aims Firefly GAMESS (UK) GAMESS (US) Gaussian Jaguar MOLCAS MOLPRO ONETEP OpenAtom ORCA (industrial) PLATO PQS Q-Chem Quantemol Scigress Spartan TeraChem TURBOMOLE VASP WIEN2k XMVB Skeletal structure drawing Open source JChemPaint Molsketch XDrawChem Proprietary ACD/ChemSketch BIOVIA Draw ChemDoodle ChemDraw ChemWindow JME Molecule Editor MarvinSketch PICTO Others Aqion EXC code GenX GSim Mercury CrystalExplorer ICM (ICM-Browser) Materials Studio Molden OpenChrom SASHIMI

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Adapted from the Wikipedia article [RDKit](https://en.wikipedia.org/wiki/RDKit) by Wikipedia contributors ([contributor history](https://en.wikipedia.org/wiki/RDKit?action=history)). Available under [Creative Commons Attribution-ShareAlike 4.0 International](https://creativecommons.org/licenses/by-sa/4.0/). Changes may have been made.