Lingang Laboratory

Structure-based virtual screening model that jointly predicts protein-ligand complex structures and binding fitness from sequence and SMILES.

Structure-based drug design model that generates 3D ligands inside a protein pocket by interpolating distribution parameters instead of samples.

Cross-species brain spatial transcriptomics foundation model pretrained on 133M cells from human, macaque, marmoset, and mouse whole brains.

Relative protein-ligand binding affinity prediction from docked complexes, matching Schrodinger FEP+ ranking accuracy zero-shot on the FEP benchmark.

Physics-guided all-atom diffusion model for protein-ligand complex prediction, reaching 95.3% success on PoseBusters redocking with a known pocket.

Protein conformational ensemble generator using SE(3) flow matching from a perturbed ESMFold prior, sampling MD-like dynamics from sequence alone.

AAV capsid design platform for gene therapy that steers a peptide language model toward inserts combining receptor targeting and production fitness.

Equivariant heterogeneous graph network that rescores docked protein-ligand poses for virtual screening and ranks structural analogs by activity.