Datasets:

SupraBench
/

SupraDB-LigandScore

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supramolecular-chemistry

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Dataset card Data Studio Files Files and versions

SupraDB-LigandScore / features.csv

Commit History

Rebuild w/ QM9: 429,140 guests, identity (name/smiles/source) + 9 scores

2c79640
verified

mtybilly commited on 6 days ago

Rebuild from full GEOM pool (301,573 guests, Group-1 no-dock scores)

22a5e4d
verified

mtybilly commited on 6 days ago

Upload features.csv with huggingface_hub

c353892
verified

mtybilly commited on 7 days ago