Lab Logo
Group Photo
Research

My work lies at the intersection of machine learning, graph neural networks, and bioinformatics. We are interested in:

  • Text-based molecule generation
  • LLM for chemical synthesis
  • Drug-target interaction / binding affinity prediction
  • Drug-drug interaction event prediction
News
2025 Our paper "Enhancing chemical reaction and retrosynthesis prediction with large language model" was accepted by IJCAI 2025.
2025 DynamicDTA paper published in Interdisciplinary Science: Computational Life Sciences.
2024 CTF-DDI paper published in Future Generation Computer Systems.
2023 MVA-DDI paper presented at IEEE BIBM 2023.
2021 Received Ph.D. degree from Hunan University.
Positions

We are always looking for highly motivated students and postdocs to join our lab!

  • Master / Ph.D. students (with CS or biology backgrounds)
  • Postdoctoral researchers in machine learning / bioinformatics
  • Undergraduate research interns

If you are interested, please send your CV to jack_lin@xtu.edu.cn.

Visitors Map
Visitor Map

🌍 接入 ClustrMaps 或 MapMyVisitors 后自动显示实时访客。

About Me
Xuan Lin

Xuan Lin (林轩)

Associate Professor

School of Computer Science, Xiangtan University


Google Scholar  |  GitHub  |  中文主页


Engineering Building, #401, Yuhu District, Xiangtan, Hunan, China

jack_lin@xtu.edu.cn

Education

2017.09 – 2021.06   Ph.D. in Computer Science, Hunan University

2019.10 – 2020.08   Visiting Ph.D., University of Illinois at Chicago (with Prof. Philip S. Yu)

Work Experience

Associate Professor, School of Computer Science, Xiangtan University (Present)

Visiting Scholar, University of Illinois at Chicago (2019–2020)

Selected Publications
ChemDual
Enhancing chemical reaction and retrosynthesis prediction with large language model and dual-task learning
Xuan Lin, Qingrui Liu, Hongxin Xiang*, Daojian Zeng, Xiangxiang Zeng
IJCAI 2025 (accepted)
DynamicDTA
DynamicDTA: drug-target binding affinity prediction using dynamics descriptors and graph representation
Dan Luo, Jinyu Zhou, Le Xu, Sisi Yuan, Xuan Lin*
Interdisciplinary Science: Computational Life Sciences, 2025
CTF-DDI
CTF-DDI: Constrained tensor factorization for drug–drug interactions prediction
Guosheng Han, Lingzhi Peng, Aocheng Ding, Yan Zhang, Xuan Lin*
Future Generation Computer Systems, 161: 26-34, 2024
CSCL-DTI
CSCL-DTI: predicting drug-target interaction through cross-view and self-supervised contrastive learning
Xuan Lin, Xi Zhang, Zu-Guo Yu, Yahui Long*, Xiangxiang Zeng, Philip S. Yu
2024
MVA-DDI
Interpretable attention network with multi-view learning for drug-drug interaction prediction
Xuan Lin, Qi Wen, Sijie Yang, Zu-Guo Yu, Yahui Long*, Xiangxiang Zeng
IEEE BIBM 2023

Full list on Google Scholar

Group Members
Qingrui Liu Qingrui Liu

Ph.D. Student

Chemical reaction prediction, LLMs

Dan Luo Dan Luo

Master Student

Drug-target affinity, dynamics

Guosheng Han Guosheng Han

Master Student (Alumni)

Tensor factorization, DDI

Qi Wen Qi Wen

Master Student (Alumni)

Multi-view learning, DDI

Interested in joining? Contact jack_lin@xtu.edu.cn.


© 2025 Xuan Lin · School of Computer Science, Xiangtan University · Last updated: 2025