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pCoMole: Pareto-Constrained Molecule Editing with Discrete Flows

Chen, Tong et al.
arXiv (All) · Papers
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biomolecules
Biomolecular therapeutics often start from known sequences and require targeted editing to improve multiple properties while satisfying hard biochemical and manufacturability constraints. However, existing generative methods do not jointly support multi-objective optimization, hard feasibility, and
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