giallu / rdkit


A toolkit for chemical informatics and machine learning

Installation Instructions

The package is split into subpackages, so you can install only the part of the toolkit you need. Most notably, if you want to work with the python bindings please use:

# yum install python-rdkit

while if you want to work with the postgresql cartridge, use:

# yum install rdkit-postgresql

The full list of packages in this repo is located here

Feel free to contact me ( for any issue about these packages

Active Releases

The following unofficial repositories are provided as-is by owner of this project. Contact the owner directly for bugs or issues (IE: not bugzilla).

Release Architectures Repo Download
Epel for CentOS 6 i386 (0)*, x86_64 (0)* Epel 6 (186 downloads)
Epel for CentOS 7 x86_64 (3)* Epel 7 (108 downloads)
Fedora 24 x86_64 (0)* Fedora 24 (4 downloads)
Fedora 26 x86_64 (0)* Fedora 26 (0 downloads)

* Total number of packages downloaded in the last seven days.