Molecular Docking on PDBBind

Metric: Top-1 RMSD (%<2) (higher is better)

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#	Model↕	Top-1 RMSD (%<2)▼	Extra Data	Paper	Date↕	Code
1	FABind+	43.5	No	FABind+: Enhancing Molecular Docking through Imp...	2024-03-29	Code
2	FABind	33.1	No	FABind: Fast and Accurate Protein-Ligand Binding	2023-10-10	Code
3	EQUIBIND+GNINA	28.8	No	DiffDock: Diffusion Steps, Twists, and Turns for...	2022-10-04	Code
4	EQUIBIND+SMINA	23.2	No	EquiBind: Geometric Deep Learning for Drug Bindi...	2022-02-07	Code
5	GNINA	22.9	No	DiffDock: Diffusion Steps, Twists, and Turns for...	2022-10-04	Code
6	GLIDE	21.8	No	DiffDock: Diffusion Steps, Twists, and Turns for...	2022-10-04	Code
7	QVINAW	20.9	No	DiffDock: Diffusion Steps, Twists, and Turns for...	2022-10-04	Code
8	P2RANK+SMINA	20.4	No	DiffDock: Diffusion Steps, Twists, and Turns for...	2022-10-04	Code
9	SMINA	18.7	No	DiffDock: Diffusion Steps, Twists, and Turns for...	2022-10-04	Code
10	EQUIBIND	5.5	No	EquiBind: Geometric Deep Learning for Drug Bindi...	2022-02-07	Code

#1FABind+SOTA
43.5
Top-1 RMSD (%<2)· 2024-03-29
FABind+: Enhancing Molecular Docking through Improved Pocket Prediction and Pose Generation Code
#2FABindSOTA
33.1
Top-1 RMSD (%<2)· 2023-10-10
FABind: Fast and Accurate Protein-Ligand Binding Code
#3EQUIBIND+GNINASOTA
28.8
Top-1 RMSD (%<2)· 2022-10-04
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Code
#4EQUIBIND+SMINASOTA
23.2
Top-1 RMSD (%<2)· 2022-02-07
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Code
#5GNINA
22.9
Top-1 RMSD (%<2)· 2022-10-04
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Code
#6GLIDE
21.8
Top-1 RMSD (%<2)· 2022-10-04
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Code
#7QVINAW
20.9
Top-1 RMSD (%<2)· 2022-10-04
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Code
#8P2RANK+SMINA
20.4
Top-1 RMSD (%<2)· 2022-10-04
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Code
#9SMINA
18.7
Top-1 RMSD (%<2)· 2022-10-04
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking Code
#10EQUIBIND
5.5
Top-1 RMSD (%<2)· 2022-02-07
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction Code