Blind Docking

2 papers with code • 2 benchmarks • 0 datasets

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Most implemented papers

DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

gcorso/diffdock 4 Oct 2022

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.

EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

HannesStark/EquiBind 7 Feb 2022

Predicting how a drug-like molecule binds to a specific protein target is a core problem in drug discovery.