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Published at November 8

Improving Molecular Graph Generation with Flow Matching and Optimal Transport

cs.LG
cs.AI

Released Date: November 8, 2024

Authors: Xiaoyang Hou1, Tian Zhu1, Milong Ren1, Dongbo Bu2, Xin Gao3, Chunming Zhang4, Shiwei Sun1

Aff.: 1Key Laboratory of Intelligent Information Processing, Institute of Computing Technology, School of Computer Science and Technology, University of Chinese Academy of Sciences; 2Key Laboratory of Intelligent Information Processing, Institute of Computing Technology, School of Computer Science and Technology, University of Chinese Academy of Sciences, Central China Research Institute for Artificial Intelligence Technologies; 3King Abdullah University of Science and Technology; 4Key Laboratory of Intelligent Information Processing, Institute of Computing Technology, School of Computer Science and Technology, University of Chinese Academy of Sciences, Western Institute of Computing Technology, Phil Rivers Technology

Arxiv: http://arxiv.org/abs/2411.05676v1