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CVAE training data and generated peptide/enzyme candidates for AMP-CPP hybrid peptide design

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Zenodo2026-07-30 更新2026-08-01 收录
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Training datasets, configuration, and generated candidates for a calibrated dual-score generative pipeline (CDSPO) designing hybrid antimicrobial/cell-penetrating peptides. This dataset accompanies the CDSPO (Calibrated Dual-Score Peptide Optimisation) pipeline for de novo design of peptides with combined antimicrobial (AMP) and cell-penetrating (CPP) activity. Contents include: curated AMP positive training data (n = 1,655, ADP v6 disulfide-bond entries), curated CPP positive training data (n = 709, CellPPD/Raghavendra collection), YAML configuration file specifying all model hyperparameters, training settings, and filter thresholds used to produce the reported results, final set of 80 generated hybrid AMP/CPP peptide candidates with predicted AMP/CPP probabilities and physicochemical properties. Candidates were produced via a conditional variational autoencoder coupled to calibrated classifier ensembles (gradient boosting, multilayer perceptron, random forest) and score-guided latent optimisation.

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Zenodo
创建时间:
2026-06-30
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