Binding Affinity Prediction Diffusion Models

There are 11 binding affinity prediction models tracked. The highest-rated is gcorso/DiffDock at 46/100 with 1,454 stars.

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# Model Score Tier
1 gcorso/DiffDock

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

46
Emerging
2 arneschneuing/DiffSBDD

A Euclidean diffusion model for structure-based drug design.

45
Emerging
3 gcorso/torsional-diffusion

Implementation of Torsional Diffusion for Molecular Conformer Generation...

39
Emerging
4 BioinfoMachineLearning/bio-diffusion

A geometry-complete diffusion generative model (GCDM) for 3D molecule...

38
Emerging
5 igashov/DiffLinker

DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design

38
Emerging
6 AdrienC21/CCSD

Combinatorial Complex Score-based Diffusion model using stochastic...

34
Emerging
7 ketatam/DiffDock-PP

Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion...

31
Emerging
8 DeepGraphLearning/DiffPack

Implementation of DiffPack: A Torsional Diffusion Model for Autoregressive...

28
Experimental
9 kiharalab/DiffModeler

DiffModeler: a diffusion model based protein complex structure modeling tool.

28
Experimental
10 jostorge/diffusion-hopping

DiffHopp: A Graph Diffusion Model for Novel Drug Design via Scaffold Hopping

27
Experimental
11 Dunni3/keypoint-diffusion

A diffusion model for structure-based drug design with faster inference from...

25
Experimental

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