Jupyter server proposal:

  • jupyterhub (https://github.com/jupyterhub/jupyterhub): uses PAM for multiple users, we can create a user account for each user, the home directory will be used to store their files
  • chemview (https://github.com/gabrielelanaro/chemview): this module provides 3D graphics tools that can help to demonstrate the parsing of MOL files
  • Python 3: the above should be compatible with Python 3. Many other modules aren't, unfortunately. But I think we should offer our students the future oriented version of Python.

I think the easiers way to deploy this is probably to create a Ubuntu VM and install all dependencies there.


If we can not manage to deploy our own Jupyter server (to be able to support chemview), we can always use this service that deployse temporary IPython notebooks (https://tmpnb.org/). Just for reference, this is what we can potentially do with chemview:

Jupyter ChemView screenshot