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Fragment-based Pretraining and Finetuning on Molecular Graphs
v1v2 (latest)

Fragment-based Pretraining and Finetuning on Molecular Graphs

5 October 2023
Kha-Dinh Luong
Ambuj Singh
    AI4CE
ArXiv (abs)PDFHTMLGithub (20★)

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

5 / 5 papers shown
Title
Exploring Hierarchical Molecular Graph Representation in Multimodal LLMs
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
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
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
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
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
1