How to get all molecules from an SDF file using RDkit in Python?

Question

I want to read an SDF file to get all the molecules in it. How can I use the RDkit package in Python for it?

Answer 1

You can read an SDF file using the SDMolSupplier() function of the rdkit.Chem module to get the list of molecules.

Here is an example:

from rdkit import Chem
supplier = Chem.SDMolSupplier('supplier_file.sdf')
mols = [mol for mol in supplier if mol is not None]

In the above code, you need to replace 'supplier_file.sdf' with your SDF file.