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cs.LG2026
One Sequence, Many Decodings: CAGenMol-2 Recasts Drug Design as Masked Molecular Inference
Yanting Li, Enyan Dai, Lei Wang +2
Drug design couples property evaluation, conditional generation, structure-based design, and local optimization, yet machine learning systems typically address these capabilities w…
cs.LG2026
CAGenMol: Condition-Aware Diffusion Language Model for Goal-Directed Molecular Generation
Yanting Li, Zhuoyang Jiang, Enyan Dai +3
Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing method…