Public | Automated Build

Last pushed: 5 months ago
Short Description
Basic RDKit build
Full Description

Dockerfile for building RDKit.


  • master - build from current RDKit master branch
  • Release_2015_03_1 - build from the Release_2015_03_1 release tag
  • Release_2015_09_2 - build from the Release_2015_09_2 release tag
  • Release_2016_03_1 - build from the Release_2016_03_1 release tag
  • Release_2016_09_2 - build from the Release_2016_09_2 release tag
  • Release_2017_03_1 - build from the Release_2017_03_1 release tag
  • Release_2017_03_3 - build from the Release_2017_03_3 release tag
  • Release_2017_09_1 - build from the Release_2017_09_1 release tag

GitHub repo for RDKit is here.
GitHub repo for this project is here

Build and run

Create and run the docker image like this:

docker build .
docker run -it --rm <container id> bash

Or alternatively use the pre-built image on Dockerhub

docker pull informaticsmatters/rdkit
docker run -it --rm informaticsmatters/rdkit bash

Docker Pull Command
Source Repository