Max Planck Institute for Polymer Research

Protein dynamics prediction from one equilibrium structure, giving per-residue directional flexibility and pairwise residue couplings.

Energy-based flow matching for 3D molecular structure, using an idempotent predict-and-refine map for protein backbone generation and ligand docking.

De novo protein backbone design conditioned on a target per-residue flexibility profile, with SE(3)-equivariant flow matching and MD validation.

Protein conformational ensemble generator conditioned on backbone geometry alone, sampling MD-like dynamics without MSAs or a folding model.

De novo protein backbone design with geometric-algebra attention, sampling designable structures whose secondary structure matches natural proteins.