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

Fragment-based Pretraining and Finetuning on Molecular Graphs

Kha-Dinh Luong
Ambuj Singh
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

We use cookies and other tracking technologies to improve your browsing experience on our website, to show you personalized content and targeted ads, to analyze our website traffic, and to understand where our visitors are coming from. See our policy.