Virtual Screening Benchmark 2024
v1.0Standardized benchmark dataset for evaluating virtual screening methods. Includes decoys, actives, and molecular descriptors for the DUD-E subset.
Machine LearningMolecular Docking
3 files
| File | Type | Size | Downloads | |
|---|
| actives.smi | chemical/x-daylight-smiles | 512.0 KB | 0 | |
| decoys.smi | chemical/x-daylight-smiles | 5.0 MB | 0 | |
| descriptors.csv | text/csv | 10.0 MB | 0 | |