Datasets:

SupraBench
/

SupraDB-LigandScore

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Tags:

supramolecular-chemistry

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Dataset card Data Studio Files Files and versions

SupraDB-LigandScore

Commit History

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mtybilly commited on 6 days ago

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

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mtybilly commited on 6 days ago

Upload README.md with huggingface_hub

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mtybilly commited on 6 days ago

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

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mtybilly commited on 6 days ago

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mtybilly commited on 7 days ago

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mtybilly commited on 7 days ago

initial commit

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mtybilly commited on 7 days ago