rdkit-installer

The install-rdkit command downloads, builds and installs RDKit from source on Ubuntu Linux. It can also install RDKit in a Python virtual environment and build the RDKit PostgreSQL extension.

Currently works with Python 2.7, 3.6, 3.7, 3.8, 3.9 and 3.10.

Tested on Ubuntu 16.04, 18.04, 20.04 and 22.04, and RDKit release tags Release_2018_09_1 to Release_2022_03_2.

Usage

Enter ./install-rdkit --help for instructions.