Hi @rbharath, I'm working on the QM7/QM7b dataset. From the following link, I downloaded the dataset - http://moleculenet.ai/datasets-1.
But the .mat file doesn't seem to have the smile format of the molecules. There are only 3-d cartesian data and electronic properties available. Can you please guide me in getting the smiles as well.
.matfiles with scipy: https://scipy-cookbook.readthedocs.io/items/Reading_mat_files.html