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Reaction BERT classifier (8 epochs, full train data)
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{
"title": "Leak CURBER enzyme retrieval",
"slug": "leak-curber-enzyme-retrieval",
"benchmark_id": "leak-curber-enzyme-retrieval-20261023",
"input_columns": [
"rxn_smiles"
],
"label_column": "ec_number",
"output_format": "jsonl",
"primary_metric": "accuracy_l4",
"metrics": [
"accuracy_l4",
"accuracy_l3",
"accuracy_l2",
"accuracy_l1"
],
"data_dir": "data/enzyme_tasks/retrieval",
"task_id": "enzyme-retrieval"
}