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cs.AI2025
GDiffRetro: Retrosynthesis Prediction with Dual Graph Enhanced Molecular Representation and Diffusion Generation
Shengyin Sun, Wenhao Yu, Yuxiang Ren +5
Retrosynthesis prediction focuses on identifying reactants capable of synthesizing a target product. Typically, the retrosynthesis prediction involves two phases: Reaction Center I…
cs.AI2023★ 3 cited
Large Language Models as Topological Structure Enhancers for Text-Attributed Graphs
Shengyin Sun, Yuxiang Ren, Jiehao Chen +1
The latest advancements in large language models (LLMs) have revolutionized the field of natural language processing (NLP). Inspired by the success of LLMs in NLP tasks, some recen…