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Published at November 26

Learning Chemical Reaction Representation with Reactant-Product Alignment

cs.LG
cs.AI

Released Date: November 26, 2024

Authors: Kaipeng Zeng1, Xianbin Liu1, Yu Zhang1, Xiaokang Yang1, Yaohui Jin, Yanyan Xu1

Aff.: 1MoE Key Laboratory of Artificial Intelligence, AI Institute, Shanghai Jiao Tong University, Shanghai, China

Arxiv: http://arxiv.org/abs/2411.17629v1