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Pujun Xie

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Theoretical and Computational Chemistry

EnviroDetaNet: Pretrained E(3)-equivariant Message-Passing Neural Networks with Multi-Level Molecular Representations for Organic Molecule Spectra Prediction

Yuzhi Xu, Daqian Bian, Cheng-Wei Ju, Fanyu Zhao, Pujun Xie, Yuanqing Wang, Wei Hu, Zhenrong Sun, John Zhang, Tong Zhu

Version 1 posted 06 September 2024

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