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1. antioxidant-qsar-tyr-gly antioxidant-qsar-tyr-gly Public

   QSAR and cheminformatics study of DPPH antioxidant activity using molecular fingerprints, physicochemical descriptors, scaffold- and DOI-aware validation, applicability-domain analysis, and sulfona…

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2. peptide-self-assembly-ml peptide-self-assembly-ml Public

   Leakage-aware machine learning of short-peptide bulk-state and supramolecular morphology from peptide chemistry and experimental conditions

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3. reliable-opv-generalization reliable-opv-generalization Public

   Reproducible analysis of chemical generalization, processing-aware prediction, and uncertainty under domain shift in organic photovoltaics.

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4. intelligent-microscopy-materials intelligent-microscopy-materials Public

   Leakage-controlled SEM morphology classification with classical ML, CNNs, transfer learning, uncertainty calibration, Grad-CAM, and artifact perturbation analysis.

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