How to use
To run the software on any computer you need to install docker.
Then you can either download or build the docker image.
To download running the following command in your favorite terminal:
docker pull beangoben/gp_mol
of build it (good to change things) by moving to the git cloned repository :
docker build -t "beangoben/gp_mol" .
And then move to whatever folder you want to work with and execute:
docker run -p 8888:8888 -v "$(pwd)":/home/jovyan/work -it beangoben/gp_mol