| tags: | |
| - chemistry | |
| - biology | |
| size_categories: | |
| - 100M<n<1B | |
| 975,820,226 samples. | |
| Contains only the unique, RDKit canonicalized SMILES molecules in a CSV format (after extracting), from the original "Entire GDB-13" dataset found at https://gdb.unibe.ch/downloads/. |