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kcat-km blend (submission4)
Blend of (A) frozen ESM-2 35M (last + layer-8 mean pool, PCA-256) + Morgan counts/MACCS/RDKit descriptors -> LightGBM per target, and (B) ESM-2 35M with the top 4 layers fine-tuned + molecule MLP + enzyme x substrate cross features, 3 seeds averaged (variant: base). Both trained on the organizer train set + leak-filtered public kinetics tables (no kinetics-pretrained models). Blend weight of (B) per target (kcat, Km): [0.5, 0.3]. One shared ESM pass for layers 0-7. CPU only. Run: python /app/predict.py --input INPUT --output OUTPUT
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