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cs.LG2026
RetroGEF: Dynamic Graph Edit Flow for Single-Step Retrosynthesis
Xiaozhuang Song, Xuemin Chen, Xinjian Zhao +2
Retrosynthesis enables the discovery of viable synthetic routes to target molecules. It plays a central role in modern drug discovery and materials design. Retrosynthesis involves…
cs.LG2026
ChemOPD: Multi-Teacher On-Policy Distillation for Multi-Task Chemical Reasoning
Yaoyao Xu, Xinjian Zhao, Xiaozhuang Song +2
Large language models are increasingly expected to support diverse chemical reasoning capabilities within a unified model. One approach is to develop specialized capabilities separ…