sagawa/ZINC-canonicalized download history

sagawa/ZINC-canonicalized is a dataset on the Hugging Face Hub. In the last 30 days it was downloaded 345 times (33 in the last 7 days), and 10,269 times in total. It ranks #44,039 among datasets by monthly downloads.

dataset description We downloaded ZINC dataset from here and canonicalized it. We used the following function to canonicalize the data and removed some SMILES that cannot be read by RDKit. from rdkit import Chem def canonicalize(mol): mol = Chem.MolToSmiles(Chem.MolFromSmiles(mol),Tru

Models trained on ZINC-canonicalized

5 models list it as training data.

Open sagawa/ZINC-canonicalized on Hugging Face