Enzyme retrieval: reaction -> EC

Ensemble of fine-tuned rxnfp reaction BERTs (int8 on CPU; mean pooling; soft multi-EC targets; auxiliary L1/L2/L3 heads; reactant/product shuffle augmentation) blended with a TF-IDF reaction-fingerprint kNN. Reactions are used as given (no canonicalisation). python /app/predict.py --input INPUT --output OUTPUT

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