AI RESEARCH

CAGenMol: Condition-Aware Diffusion Language Model for Goal-Directed Molecular Generation

arXiv CS.LG

ArXi:2604.11483v1 Announce Type: new Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to reconcile conflicting objectives (e.g., affinity vs. safety), and struggle to navigate the non-differentiable chemical space without compromising structural validity.