Commit History
Today
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ProtT5 + SMILES-T + MACCS + Morgan + GroupKFold ET
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Yesterday
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MLP: ProtT5 + Morgan FP, 3072→512→256→128→1
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Multitask ExtraTrees + PCA + SMOTE
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Add substrate mean km blending (alpha=0.7)
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Fix: argparse for --input/--output args
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Fix: remove ESM2 dep, zero fallback, drop torch from requirements
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ExtraTrees 200 trees + PCA + SMOTE + joblib compression
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