IDEA-AI4S/

ChemCoTDataset

|- mol_edit/ |---- add.json |---- delete.json |---- sub.json

|- mol_opt/ |---- drd.json |---- gsk.json |---- jnk.json |---- qed.json |---- solubility.json |---- logp.json

|- mol_und/ |---- fg_count.json |---- Murcko_scaffold.json |---- ring_count.json |---- ring_system_scaffold.json |---- equivalance.json

|- rxn |---- fs_by_product.json |---- fs_major_product.json |---- retro.json |---- rcr.json |---- mech_sel.json |---- nepp.json

[2026.1.19] 🤝 Add… See the full description on the dataset page: https://huggingface.co/datasets/IDEA-AI4S/ChemCoTDataset.