Datasets:
File size: 267 Bytes
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---
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/. |