教授、博士生导师、国家级高层次人才计划入选者、湖南省杰出青年基金获得者。获吴文俊人工智能优秀青年奖，亚马逊机器学习研究奖，厦门大学教学成果奖特等奖。入选了麻省理工科技评论“中国智能计算科技创新人物”。2020至2024连续入选科睿维安“全球高被引科学家”名单，爱思唯尔“中国高被引学者”名单。成果入选世界人工智能大会“SAIL奖”榜单。

研究方向包括AI4Science，生物医药大模型，智能相位显微镜等，近年来在Nature子刊（如自然-机器智能x2、自然-计算科学x1、自然-通讯x4）、Cell子刊、ICML、NeurIPS、AAAI、IJCAI等期刊和会议发表论文100余篇。获ICIC2024国际会议最佳论文奖，Cell出版社中国2021年度最佳论文奖，IMCS学会2020年度最佳论文奖。创办的DrugAI公众号入选中国“学术媒体公众号Top10”。

2011-2018年工作于厦门大学计算机系，获评博士生导师，近年来受邀在哈佛大学，北卡大学，印第安纳大学，香港中文大学，香港城市大学，马德里理工大学访问研究。获西班牙Juan学者资助（每年8位来自世界各地的学者入选），担任马德里理工大学客座研究员。香港中文大学荣誉教授。

[1]国家杰出青年基金，生物信息学（62425204），2025.1-2029.12

[2]国家联合基金重点项目，基于超算和多组学数据的智能医药关键技术研究（U22A2037)，2023.1-2026.12

[3]国家自然科学基金原创探索计划项目，支持生物序列机（62450002），2025.1-2026.12

[4]国家自然科学基金重点项目，基于宏基因组病毒大数据的菌株级微生物相互作用关系（62432011），2025.1-2029.12

[5]科技创新2030-重大项目课题,基于知识引导的反应预测与优化（2023ZD0120902）, 2024.01-2026.12

[6]国家优秀青年基金，多组学数据分析与智能处理（62122025）

科研著作：

[1]宋弢，曾湘祥，王爽，王建民，智能药物研发，清华大学出版社，2022（国内首本人工智能药物研发教材，京东购买链接）

[2] Pan Zheng, Shudong Wang, Xun Wang and Xiangxiang Zeng, Artificial Intelligence in Bioinformatics and Drug Repurposing: Methods and Applications. 2022.

[3] Xiangxiang Zeng, Alfonso Rodríguez-Patón, Molecular Computing and Bioinformatics, MDPI, 2019.

[4]邹权，陈启安，曾湘祥，刘向荣，系统生物学中的网络分析方法，西安电子科技大学出版社，2015.

[5]潘林强，曾湘祥，宋弢，膜计算导论，华中科技大学出版社，2012.

发表论文：

[1] Zixu Wang, Yangyang Chen, Pengsen Ma, Zhou Yu, Jianmin Wang, Yuansheng Liu, Xiucai Ye, Tetsuya Sakurai, Xiangxiang Zeng, Image-Based Generation for Molecule Design with SketchMol, Nature Machine Intelligence, 2025. (Nature子刊)

[2] Tengfei Ma, Chen Yujie, Liang Wang, Xuan Lin, Bosheng Song, Xiangxiang Zeng, S2DN: Learning to Denoise Unconvincing Knowledge for Inductive Knowledge Graph Completion, AAAI 2025. (CCF A)

[3] Yiping Liu, Jiahao Yang, Xuanbai Ren, Zhang Xinyi, Yuansheng Liu, Bosheng Song, Xiangxiang Zeng, Hisao Ishibuchi, Multi-Objective Molecular Design Through Learning Latent Pareto Set, AAAI 2025. (CCF A)

[4] Pengyong Li, Kaihao Zhang, Tianxiao Liu, Ruiqiang Lu, Yangyang Chen, Xiaojun Yao, Lin Gao, Xiangxiang Zeng, A Deep Learning Approach for Rational Ligand Generation with Toxicity Control via Reactive Building Blocks, Nature Computational Science. 2024. (Nature子刊，基金委报道，NCS评论)

[5] Hongxin Xiang, Li Zeng, Linlin Hou, Kenli Li, Zhimin Fu, Yunguang Qiu, Ruth Nussinov, Jianying Hu, Michal Rosen-Zvi, Xiangxiang Zeng, Feixiong Cheng, A Molecular Video-derived Foundation Model Streamlines Scientific Drug Discovery, Nature Communications, 2024. (Nature子刊，机器之心报道)

[6] Tingting Li, Xuanbai Ren, Xiaoli Luo, Zhuole Wang, Zhenlu Li, Xiaoyan Luo, Jun Shen, Yun Li, Dan Yuan,Ruth Nussinov, Xiangxiang Zeng, Junfeng Shi, Feixiong Cheng, A Foundation Model Identifies Broad-Spectrum Antimicrobial Peptides against Drug-Resistant Bacterial Infection, Nature Communications, 2024, doi.org/10.1038/s41467-024-51933-2. (Nature子刊，湖南日报报道)

[7] Houtim Lai, Longyue Wang, Ruiyuan Qian, Junhong Huang, Peng Zhou, Geyan Ye, Fandi Wu, Fang Wu, Xiangxiang Zeng, Wei Liu. Interformer: an interaction-aware model for protein-ligand docking and affinity prediction. Nature Communications 15, 10223, 2024. (Nature子刊)

[8] Xuanbai Ren, J. Wei, X. Luo, Y. Liu, K. Li, Q. Zhang, X. Gao, S. Yan, X. Wu, X. Jiang, M. Liu, D. Cao, L. Wei, Xiangxiang Zeng, Junfeng Shi, HydrogelFinder: A Foundation Model for Efficient Self-Assembling Peptide Discovery Guided by Non-Peptidal Small Molecules. Advanced Science, 2024, 11, 2400829. (IF: 15.1)

[9] Hongxin Xiang, Shuting Jin, Jun Xia, Man Zhou, Jianmin Wang, Li Zeng, Xiangxiang Zeng. An Image-enhanced Molecular Graph Representation Learning Framework, IJCAI, 2024 (CCF A)

[10] Taisong Jin; Xixi Yang; Zhengtao Yu, Han Luo, Yongmei Zhang, Feiran Jie, Xiangxiang Zeng, Min Jiang, WalkGAN: Network Representation Learning With Sequence-Based Generative Adversarial Networks, IEEE Transactions on Neural Networks and Learning Systems, 2024, 35(4), 5684-5694.

[11] Jiacai Yi, Shaohua Shi, Li Fu, Ziyi Yang, Pengfei Nie, Aiping Lu, Chengkun Wu, Yafeng Deng, Changyu Hsieh, Xiangxiang Zeng, Tingjun Hou, Dongsheng Cao. OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds, Nature Protocols, 2024, 19(4):1105-1121. (Nature子刊)

[12] Yu Wang, Chao Pang, Yuzhe Wang, Junrui Jin, Jingjie Zhang, Xiangxiang Zeng, Ran Su, Quan Zou, Leyi Wei. Retrosynthesis prediction with an interpretable deep-learning framework based on molecular assembly tasks. Nature Communications 14, 6155 (2023). (Nature子刊)

[13] Shugao Chen, Ziyao Li, Xiangxiang Zeng, Guolin Ke. Amalga: Designable Protein Backbone Generation with Folding and Inverse Folding Guidance, NeurIPS, 2023. (CCF A)

[14] Bin Wu, Jinyuan Fang, Xiangxiang Zeng, Shangsong Liang, Qiang Zhang, Adaptive Compositional Continual Meta-Learning, ICML 2023 (CCF A)

[15] Xixi Yang, Li Fu, Yafeng Deng, Yuansheng Liu, Dongsheng Cao, Xiangxiang Zeng, GPMO: Gradient perturbation-based contrastive learning for molecule Optimization , IJCAI 2023. (CCF A)

[16] Peng Zhou, Zongqian Wu, Xiangxiang Zeng, Guoqiu Wen, Junbo Ma, Xiaofeng Zhu, Totally Dynamic Hypergraph Neural Network , IJCAI 2023. (CCF A)

[17] Chunyan Li, JunfengYao, Jinsong Su, Zhaoyang Liu, Xiangxiang Zeng, Chenxi Huang, LagNet: Deep Lagrangian Mechanics for Plug-and-Play Molecular Representation Learning, AAAI 2023. (CCF A)

[18] Junlin Xu, Jielin Xu, Yajie Meng, Changcheng Lu, Lijun Cai, Xiangxiang Zeng, Ruth Nussinov, Graph Embedding and Gaussian Mixture Variational Autoencoder Network for End-to-End Analysis of Single-Cell RNA-Sequencing Data. Cell Reports Methods. 2023. (Cell子刊)

[19] Bosheng Song, Kenli Li, David Orellana-Martín, Xiangxiang Zeng, Mario J. Pérez-Jiménez, Tissue P systems with states in cells, IEEE Transactions on Computers, 2023, 72(9), 2561-2570. (CCF A)

[20] Bosheng Song, Kenli Li, Xiangxiang Zeng, Mario J. Pérez-Jiménez, Claudio Zandron, Monodirectional evolutional symport tissue P systems with channel states and cell division, SCIENCE CHINA Information Sciences, 2023, 66(3), 139104. (CCF A)

[21] Xiangxiang Zeng, Hongxin Xiang, Linhui Yu, J Wang, Kenli Li, R Nussinov, Feixiong Cheng. Accurate prediction of molecular properties and molecular targets usinga self-supervised image representation learning framework. Nature Machine Intelligence.2022. (Nature子刊)

[22] Xiangxiang Zeng, Fei Wang, Yuan Luo, Seung-gu Kang, Jian Tang, Felice C. Lightstone, Evandro F. Fang, Wendy Cornell, Ruth Nussinov, Feixiong Cheng, Deep Generative Molecular Design Reshapes Drug Discovery, Cell Reports Medicine, 2022. (Cell子刊)

[23] Xiaoqin Pan, Xuan Lin, Dongsheng Cao, Xiangxiang Zeng, Phillipe Yu, Lifang He, Feixiong Cheng. Deep learning for drug repurposing:Methods,databases, and applications. WIREs Comput Mol Sci. 2022; e1597. (IF:25.11)

[24] Yanyan Li, Bosheng Song, Xiangxiang Zeng, Rule synchronization for monodirectional tissue-like P systems with channel states, Information and Computation, 2022, 285, 104895. (CCF A)

[25] Bosheng Song, Kenli Li, Xiangxiang Zeng, Monodirectional evolutional symport tissue P systems with promoters and cell division, IEEE Transactions on Parallel and Distributed Systems, 2022, 33(2), 332-342. (CCF A)

[26] Chunyan Li, Junfeng Yao, Wei Wei, Zhangming Niu, Xiangxiang Zeng, Jin Li, Jianmin Wang, Geometry-Based Molecular Generation With Deep Constrained Variational Autoencoder, IEEE Transactions on Neural Networks and Learning Systems, doi: 10.1109/TNNLS.2022.3147790.

[1] 亚马逊机器学习研究奖（2020）

[2] 全球高被引科学家（科睿维安，2020，2021，2022，2023，2024）

[3] 中国高被引学者（爱思唯尔，2021，2022，2023）

[4] 全球前十万名科学家（全球学者库，2020，2021，2022，2023）

[5] 全球前2%顶尖科学家（Stanford University，2020，2021，2022，2023）

[6] 世界人工智能大会“卓越引领者奖（SAIL奖）”榜单（2020）

[7] 第二十届智能计算国际会议（ICIC）Best Paper Award（2024）

[8] Cell出版社中国年度最佳论文（2021）

[9] 国际膜计算学会（IMCS）年度Best Paper Award（2020）

[10] 国家高层次人才计划（2024，编号：62425204）

[11] 全国人工智能应用场景创新挑战赛“优秀指导老师”（2023）

[12] 中国智能计算科技创新人物（麻省理工科技评论-DeepTech，2022）

[13] 国家高层次青年人才计划（2021，编号：62122025）

[14] 吴文俊人工智能优秀青年奖（2019）

[15] 2020年度中国“学术媒体公众号Top10”（创始人）

[16] 湖南省杰出青年（2020，编号：2021JJ10020）

[17] 福建省自然科学奖三等奖（2021，第一完成人）

[18] 福建省教学成果奖二等奖（2018）

[19] CCF科学技术奖技术发明二等奖（2021）

[20] 湖南大学岳麓学者（特聘岗，2020）

[21] 湖南大学岳麓学者（晨星岗，2019）

[22] 厦门大学教学成果奖特等奖（2017）

[23] 厦门大学春雨奖教金（2015）

[24] 厦门大学游泳比赛教工组200米蛙泳冠军，100米自由泳冠军，4*50接力亚军

[25] 武汉716横渡长江大赛金镶玉奖章（2009）

[26] 湖南大学天马杯象棋大赛冠军