EquiDock
SE(3)-equivariant rigid protein-protein docking
EquiDock performs rigid body protein-protein docking in a single forward pass using an SE(3)-equivariant graph matching network that predicts docking poses directly from structures. Inference completes in seconds on GPU without sampling. A fast first-pass filter for large interaction screens.
EquiDock is being onboarded — request access and be first in line.
At a glance
- Input
- Two protein structures (PDB)
- Output
- Docked complex (PDB)
- Developed by
- MIT
- Published
- Ganea et al., ICLR 2022 · 2022
#docking#rigid-body#se3-equivariant
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