RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python.

RDKit Docker image.

RDKit (Open-Source Cheminformatics Software)

RDKit on Debian on Docker.

RDKit based on Python 3.8 and Alpine

My own builds of rdkit version

Fully configured environment for RDKit package usage

Docker image of RDkit without conda

Docker images for the RDKit

These are images I modified from https://github.com/InformaticsMatters/docker-rdkit

a docker image repo for rdkit and its prerequisites