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ResearchFormerly WizWand

structure-based drug design

Benchmarks

DatasetSOTA methodMetricTrendResultsLast updated

CrossDocked 2020

4.96Avg Lipinski

35

Jun 2, 2026

protein targets (Set B)

100Uniqueness

14

Feb 26, 2026

Cross-Docked 2020 57 (test)

-11.867TOP-100 Score

14

Feb 26, 2026

CrossDocked 2020 (test)

-9.8Top-1 Docking Score (Avg)

11

Feb 26, 2026

MolGenBench Not: Proteins not in CrossDock

33.75Pass Rate

10

Feb 26, 2026

MolGenBench In(RM.): Proteins in CrossDock, remove SMILES in CrossDock (train)

500Hit Recovery

10

Feb 26, 2026

MolGenBench Proteins in CrossDock

37.52Pass Rate

10

Feb 26, 2026

Protein Target Panel 4IAQ, 4NC3, 3UON, 4GV1, 6CM4, 4DJH

-6.468Affinity (AKT1)

7

Feb 26, 2026

protein targets (Set A)

100Uniqueness

7

Feb 26, 2026

CrossDock 2020 (test)

93.4PB Valid

6

Feb 26, 2026

PDB 55 recovered protein pockets (test)

-9.41Vina Score (kcal/mol)

4

Feb 26, 2026