StoneWise

Pretrained language model for 3D molecule generation in protein pockets, unifying de novo and fragment-based drug design in one multi-task framework.

SE(3)-equivariant chemical language model for pocket-based 3D molecule generation, used to design an HPK1 inhibitor with in vivo anti-tumor efficacy.

Full-atom flow matching model that generates a ligand and the induced-fit holo pocket together, starting from an apo binding site.