What is the best python package to construct Smooth Overlap of Atomic Positions (SOAP) descriptors given SMILES representation of a molecule? Is this even possible without providing 3D geometry? An example would be appreciated (The example in the paper from
dscribe package is too trivial and cannot be extended to other molecules)
P.S. I'm trying to generate these descriptors for QM9 dataset molecules. Is there any databases that already has computed it?