Pat gave a talk (slides:; code: as part of the RSC CICAG Open Chemical Sciences workshop series.

As an interesting matter of fact Pat is using binder ( for direct access and execution of his notebooks ( this is awesome!

In [2]:
from rdkit import Chem
from rdkit.Chem.Draw import IPythonConsole 
from rdkit.Chem import Draw
from rdkit.Chem import rdDepictor
IPythonConsole.ipython_useSVG = True
import mols2grid
In [3]:
mols = [x for x in Chem.SDMolSupplier("example_compounds.sdf")]

Here comes the cool thing: mols2grid for a neat display of a list of molecules

mols2grid ( is developed by Cédric Bouysset (, and can be simply installed via conda

In [4]: