Isfahan University of Medical Sciences

Generative language model that designs drug-like SMILES conditioned on disease ontology and a target protein sequence for de novo drug discovery.

Target-conditioned generative language model that designs drug-like SMILES from a protein sequence, tuned on regulator-approved drug-target pairs.

Protein druggability scoring that concatenates frozen ESM-2 sequence embeddings with Gene Ontology annotations to rank candidate drug targets.