Categories Companies Research

Loading the SOTA2 catalog…

Explore

Categories Companies Research

Contribute

Join SOTA2 Contact

SOTA2

© 2026 SOTA2

Build in Bellevue, USA

WizWand is now SOTA2 Research

Papers Benchmarks Datasets Tasks

structure-based drug design research benchmarks · SOTA2 Research

structure-based drug design

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA 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

Popular datasets

MolGenBench CrossDocked protein targets Cross-Docked PDB

Follow for updates

Join SOTA2 Contact