Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules

Jun Xia, Chengshuai Zhao, Bozhen Hu, Zhangyang Gao, Cheng Tan +3 more

2/12/2026

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[ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"

12916PythonJan 22, 20233 years ago

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@article{xia2026molebert,
  title  = {Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules},
  author = {Jun Xia and Chengshuai Zhao and Bozhen Hu and Zhangyang Gao and Cheng Tan and Yue Liu and Siyuan Li and Stan Z. Li},
  year   = {2026},
  url    = {https://api.semanticscholar.org/CorpusID:f470ac3537339514bb9d88fcad9c075441906d45},
  journal = {ICLR 2023 2023}
}

Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules

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