Neural Atoms: Propagating Long-range Interaction in Molecular Graphs through Efficient Communication Channel

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Xuan Li, Zhanke Zhou, Jiangchao Yao, Yu Rong, Lu Zhang, Bo Han

Published: 01 Jan 2024, Last Modified: 13 May 2025ICLR 2024EveryoneRevisionsBibTeXCC BY-SA 4.0