Adding docker image to run roshambo

[vincrichard]

Hello and thank you for your work. While trying it out, it was easier for me to build a docker image.

If you are interested, I am making this PR for future use.

There are some part still missing, like allowing proper volume, as well as documentation. If you are interested I will add the rest.

[vincrichard]

Actually I am getting a core dump when executing PAPER, my bad. I will try to figure smth out.

# Executing PAPER on GPU 0
Segmentation fault (core dumped)

[vincrichard]

I updated my code to take into account the CUDA version. I double-check with the run_docker.sh command, and I do get the proper output.
There are probably some improvement possible in terms of image size, especially in the RDKIT file to copy to the last container, however I am not sure which ones are useful.

Let me know if you want me to update the README or if there is any other issue with the code.