metadata
tags:
- leak-curber
- enzyme
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