Datasets:

Xingqiao-2002
/

DTI

Tasks:

Tabular Classification

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Tags:

drug-target-interaction

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Dataset card Data Studio Files Files and versions

675 MB

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1 contributor

History: 11 commits

Xingqiao-2002's picture

Drop the 5 BioSNAP rows of the one compound without a conformer

498c529 verified 4 days ago

main
Drop the 5 BioSNAP rows of the one compound without a conformer 4 days ago
novel target benchmark
Add novel target benchmark: 274 positives (<50% protein identity, ligand novelty scored) + 200 measured negatives 11 days ago
.gitattributes

2.83 kB
Add main/: DrugBAN splits, RDKit conformers, partial AF3 structures (1828/4528) 11 days ago
README.md

14.7 kB
Drop the 5 BioSNAP rows of the one compound without a conformer 4 days ago