One Sequence, Many Decodings: CAGenMol-2 Recasts Drug Design as Masked Molecular Inference
Drug design couples property evaluation, conditional generation, structure-based design, and local optimization, yet machine learning systems typically address these capabilities with separate task-specific models. We introduce CAGenMol-2, a masked diffusion molecular language model that represents molecules, continuou...
Yan-Ting Li, En-Yang Dai, Lei Wang et al.
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