eloyfelix/rdkit_jupyter_cling

example docker container using rdkit C++ with jupyter notebook

C++ RDKit Jupyter notebook example

https://chembl.blogspot.com/2019/01/rdkit-c-and-jupyter-notebook.html

• Clone the repo and build the image.

  docker-compose build
  

• Run the container using the image.

  docker-compose up -d
  

• Open jupyter notebook with the browser:

  http://localhost:9999/notebooks/rdkit_cling.ipynb

• To stop and delete the running container:

  docker-compose down