Skip to content

GitLab

Closed
Created by Miquel Duran-Frigola@mduranDeveloper0 of 4 tasks completed0/4 tasks

Suggested notebooks

I like the idea of having notebooks to illustrate use cases.

Here I list some possible notebooks:

  • Loading a new chemical library (as illustrated by ChemistriX).
  • Signature reversion of Alzheimer's-related traits.
  • 2D projections of small compound collections, and straightforward characterization
  • Signature mimicking of bio-drugs
  • Supervised learning inspired by MoleculeNet.

@oguitart please let me know when you are ready for this and we will try to do this together. As an inspiration, the deepchem library has some excellent notebooks.

Edited by Martino Bertoni