Datasetpublic

Pixelatory/GDB-17

49,999,990 samples. Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the original "GDB-17-Set" dataset found at https://gdb.unibe.ch/downloads/.

sourceHugging Faceupdated 3y agoView on Hugging Face

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Dataset Card

49,999,990 samples.

Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the original "GDB-17-Set" dataset found at https://gdb.unibe.ch/downloads/.