Blind Docking
4 papers with code • 2 benchmarks • 1 datasets
Benchmarks
These leaderboards are used to track progress in Blind Docking
| Trend | Dataset | Best Model | Paper | Code | Compare |
|---|---|---|---|---|---|
|
|||||
|
Libraries
Use these libraries to find Blind Docking models and implementations
PDBBind
Most implemented papers
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
gcorso/diffdock
•
•
We instead frame molecular docking as a generative modeling problem and develop DiffDock, a diffusion generative model over the non-Euclidean manifold of ligand poses.
Deep Confident Steps to New Pockets: Strategies for Docking Generalization
gcorso/diffdock
•
•
Accurate blind docking has the potential to lead to new biological breakthroughs, but for this promise to be realized, docking methods must generalize well across the proteome.
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
Predicting how a drug-like molecule binds to a specific protein target is a core problem in drug discovery.
State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
The binding complexes formed by proteins and small molecule ligands are ubiquitous and critical to life.
