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    Pretrained E(3)-equivariant message-passing neural networks with multi-level representations for organic molecule spectra prediction

    Pretrained E(3)-equivariant message-passing neural networks with multi-level representations for organic molecule spectra prediction by Yuzhi Xu, Daqian Bian, Cheng-Wei Ju, Fanyu Zhao, Pujun Xie, Yuanqing Wang, Wei Hu, Zhenrong Sun, John Z. H. Zhang, Tong Zhu

    Published 2025-07-01
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