Datasets:
| tags: | |
| - chemistry | |
| - biology | |
| size_categories: | |
| - 10M<n<100M | |
| 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/. |