MP2D is a framework that guides discrete diffusion denoising with constrained MCTS and Pareto rewards to optimize protein sequences for four to five simultaneous objectives, outperforming baselines on antimicrobial peptide and binder design tasks.
Multi-cgan: deep generative model- based multiproperty antimicrobial peptide design.Journal of Chemical Information and Modeling, 64(1):316–326,
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MP2D: Constrained Monte Carlo Tree-Guided Diffusion for Multi-Objective Protein Sequence Design
MP2D is a framework that guides discrete diffusion denoising with constrained MCTS and Pareto rewards to optimize protein sequences for four to five simultaneous objectives, outperforming baselines on antimicrobial peptide and binder design tasks.