The official sources for the RDKit library
BSD-3-CLAUSE License
The RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.
If you are working in Python and using conda (our recommendation), installation is super easy:
$ conda install -c conda-forge rdkit
You can then take a look at our Getting Started in Python guide.
More detailed installation instructions are available in Docs/Book/Install.md.
Available on the RDKit page and in the Docs folder on GitHub
The RDKit blog often has useful tips and tricks.
If you have questions, comments, or suggestions, the best places for those are:
If you've found a bug or would like to request a feature, please create an issue
We also have a LinkedIn group
We have a yearly user group meeting (the UGM) where members of the community do presentations and lightning talks on things they've done with the RDKit. Materials from past UGMs, which can quite useful, are also online:
Code released under the BSD license.