PocketFlow

Diffusion-based generative model that treats docking as a generative problem over ligand poses. No pre-specified binding pocket needed.

Diffusion-based generative model for de novo protein backbone design. Generates novel protein structures conditioned on binding targets, symmetry, or functional sites.

Diffusion-based generative model for de novo protein backbone design. Generates novel protein structures conditioned on binding targets, symmetry, or functional sites.

Successor to RFdiffusion using flow matching. Designs enzymes directly from active site geometry (theozyme) specifications.

Inverse folding model: generates amino acid sequences predicted to fold into a target 3D backbone structure. Standard component of all modern protein design pipelines.