How can we generate conformers from our smiles?
I made one script but it gives malformed conformers. Generated initial 3D structures using rdkit and also used different atom types for drugs and QM9 dataset while using the respective model.
Any help would be appreciated
How can we generate conformers from our smiles?
I made one script but it gives malformed conformers. Generated initial 3D structures using rdkit and also used different atom types for drugs and QM9 dataset while using the respective model.
Any help would be appreciated