简要履历

北京大学科学智能(AI for Science, AI4S)中心主任。分别在台湾大学，麻省理工学院，哈佛大学学习。从事人工智能在药物、医学、化学、生物上的研究，Nature 子刊、Cell子刊和TPAMI等期刊和ICML、CVPR、AAAI会议论文370余篇，累计被引9800余次，H-index为54。在2020后连续入选Elsevier中国高被引学者榜单（计算机学与技术领域）。 2020年之后连续入选了全球学者学术影响力排行榜，2018之后连续同时入选全球World’s Top 2% Scientists的“终身科学影响力排行榜(career-long impact)”和“年度科学影响力排行榜(single-year impact)”榜单。

研究方向

虚拟细胞; 化学反应AI规划，AI药物设计和蛋白质设计

代表性论文

详细论文请参考 https://orcid.org/0000-0001-9213-9832

Recent Years Referee Papers

1.Z Tang, G Chen, S Chen, H He, J Huang, T Dong, J Zhou, L Zhao, L You,Calvin Yu-Chian Chen*,Modal-NexT: Toward unified heterogeneous cellular data integration,Information Fusion,2025,103479

2.Haohuai He,Guanxing Chen, Zhenchao Tang, Calvin Yu-Chian Chen*, Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction,npj Digital Medicine,2025,8, 67

3.Linlin You,Zihan Guo,Chau Yuen,Calvin Yu-Chian Chen, Yan Zhang*,H. Vincent Poor*, A framework reforming personalized Internet of Things by federated meta-learning,Nature Communications,2025, 16 (1), 3739

4.Ziduo Yang,Yi-Ming Zhao, Xian Wang, Xiaoqing Liu, Xiuying Zhang, Yifan Li, Qiujie Lv,Calvin Yu-Chian Chen*, Lei Shen*, Scalable Crystal Structure Relaxation Using an Iteration-Free Deep Generative Model with Uncertainty Quantification,Nature Communications,2024,15, 8148

5.Zhenchao Tang, Guanxing Chen, Shouzhi Chen, Jianhua Yao*,Linlin You*,Calvin Yu-Chian Chen*, Modal-nexus auto-encoder for multi-modality cellular data integration and imputation,Nature Communications,2024, 15, 1, 9021

6.Ziduo Yang, Weihe Zhong, Qiujie Lv, Tiejun Dong, Guanxing Chen,Calvin Yu-Chian Chen*, Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions from 3D Structures,IEEE Transactions on Pattern Analysis and Machine Intelligence,2024,46, 12, 8189-8208.

7.Haohuai He, Bing He, Lei Guan, Yu Zhao, Feng Jiang, Guanxing Chen, Qingge Zhu,Calvin Yu-Chian Chen*, Ting Li*, Jianhua Yao*, De novo generation of SARS-CoV-2 antibody CDRH3 with a pre-trained generative large language model,Nature Communications,2024, 15:6867

8.Weihe Zhong#, Ziduo Yang#,Calvin Yu-Chian Chen*, Retrosynthesis prediction using an end-to-end graph neural network for molecular graph editing,Nature Communications,2023, 14, 3009

9.Qiujie Lv, Guanxing Chen, Haohuai He, Ziduo Yang, Lu Zhao, Kang Zhang,Calvin Yu-Chian Chen*, TCMBank-the largest TCM database provides deep learning-based Chinese-Western medicine exclusion prediction,Signal Transduction and Targeted Therapy,2023, 8, 127