Pat gave a talk (slides: https://github.com/PatWalters/chem_tutorial/blob/main/2021_08_19_Chem_Tutorial.pdf; code: https://github.com/PatWalters/chem_tutorial) as part of the RSC CICAG Open Chemical Sciences workshop series.

As an interesting matter of fact Pat is using binder (www.mybinder.org) for direct access and execution of his notebooks (https://mybinder.org/v2/gh/PatWalters/chem_tutorial/HEAD): 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
rdDepictor.SetPreferCoordGen(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 (https://github.com/cbouy/mols2grid) is developed by Cédric Bouysset (https://twitter.com/cedricbouysset, https://cedric.bouysset.net/) and can be simply installed via conda

In [4]:
mols2grid.display(mols)
Out[4]: