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Blind Docking
Blind Docking On Pdbbind
Blind Docking On Pdbbind
Metrics
Top-1 RMSD (%u003c2)
Top-1 RMSD (Med.)
Results
Performance results of various models on this benchmark
Columns
Model Name
Top-1 RMSD (%u003c2)
Top-1 RMSD (Med.)
Paper Title
Repository
EQUIBIND+SMINA
23.2
6.5
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
SMINA
18.7
7.1
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
EQUIBIND
5.5
6.2
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
TANKBIND
-
4.0
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DIFFDOCK (40)
38.2±1.0
3.30±0.11
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
QVINAW
20.9
-
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
FABind
33.1
-
FABind: Fast and Accurate Protein-Ligand Binding
GNINA
22.9
7.7
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DIFFDOCK (10)
35.0±1.4
3.56±0.05
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
P2RANK+SMINA
20.4
6.9
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
EQUIBIND+GNINA
28.8
-
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
GLIDE
21.8
9.3
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
FABind+
43.5
-
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation
P2RANK+GNINA
-
5.5
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
0 of 14 row(s) selected.
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