Fragment-based Pretraining and Finetuning on Molecular Graphs

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Fragment-based Pretraining and Finetuning on Molecular Graphs

5 October 2023

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Papers citing "Fragment-based Pretraining and Finetuning on Molecular Graphs"

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Title
Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs Chengxin Hu Hao Li Yihe Yuan Jing Li Ivor Tsang 127 1 0 07 Nov 2024
Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces Siqi Chen Zhiqiang Wang Xianqi Deng Yili Shen C. Ju ... Lin Xiong Guo Ling Dieaa Alhmoud Hui Guan Zhou Lin 67 0 0 03 Nov 2024
Explanation-Preserving Augmentation for Semi-Supervised Graph Representation Learning Zhuomin Chen Jingchao Ni Hojat Allah Salehi Xu Zheng Esteban Schafir Farhad Shirani Dongsheng Luo 64 0 0 16 Oct 2024
HIGHT: Hierarchical Graph Tokenization for Molecule-Language Alignment Yongqiang Chen Quanming Yao Juzheng Zhang James Cheng Yatao Bian 127 4 0 20 Jun 2024
SE3Set: Harnessing equivariant hypergraph neural networks for molecular representation learning Hongfei Wu Lijun Wu Guoqing Liu Zhirong Liu Jia Zhang Zun Wang 103 2 0 26 May 2024