Comments (1)
You can construct oddt molecule using rdkit's Chem.Mol
object instance when initiating. https://github.com/oddt/oddt/blob/master/oddt/toolkits/rdk.py#L389.
from oddt.toolkits.rdk import Molecule
rdkit_mol = Chem.MolFromSmiles('CCC')
oddt_mol = Molecule(rdkit_mol)
from oddt.
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from oddt.