ConRetroBert achieves 62.4% top-1 accuracy on USPTO-50k by combining contrastive pretraining, hard-negative listwise ranking, and EMA-stabilized dual encoders for template retrieval in retrosynthesis.
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ConRetroBert: EMA Stabilized Dual Encoders for Template-Based Single-Step Retrosynthesis
ConRetroBert achieves 62.4% top-1 accuracy on USPTO-50k by combining contrastive pretraining, hard-negative listwise ranking, and EMA-stabilized dual encoders for template retrieval in retrosynthesis.