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Open Access

Peer-reviewed

Research Article

PairReg: A method for enhancing the learning of molecular structure representation in equivariant graph neural networks

Zhen Ren ,

Roles Writing – original draft, Writing – review & editing

* E-mail: Gszyzz@163.com

Affiliation Medical Information Engineering College, Gansu University of Traditional Chinese Medicine, Lanzhou, Gansu, China

https://orcid.org/0009-0008-6917-358X

⨯
Yu Liu,

Roles Methodology, Software

Affiliation Medical Information Engineering College, Gansu University of Traditional Chinese Medicine, Lanzhou, Gansu, China
⨯
Sen Zhang

Roles Data curation, Investigation

Affiliation Medical Information Engineering College, Gansu University of Traditional Chinese Medicine, Lanzhou, Gansu, China
⨯

PairReg: A method for enhancing the learning of molecular structure representation in equivariant graph neural networks

Zhen Ren,
Yu Liu,
Sen Zhang

x

Published: July 31, 2025
https://doi.org/10.1371/journal.pone.0328501

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