PepTune introduces Monte Carlo Tree Guidance for masked discrete diffusion, generating peptide SMILES simultaneously optimized for binding, permeability, solubility, hemolysis, and non-fouling.
Larger scores indicate stronger binding for our classifier
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PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion
PepTune introduces Monte Carlo Tree Guidance for masked discrete diffusion, generating peptide SMILES simultaneously optimized for binding, permeability, solubility, hemolysis, and non-fouling.