Jiahua Rao

Postdoc, School of Computer science and engineering, Sun Yat-sen University

Joined

December 2020

Names

Jiahua Rao (Preferred)

Emails

****@mail2.sysu.edu.cn (Confirmed)

****@gmail.com (Confirmed)

****@mail.sysu.edu.cn (Confirmed)

Personal Links

Google Scholar

DBLP

ORCID

Career & Education History

Postdoc

School of Computer science and engineering, Sun Yat-sen University (sysu.edu.cn)

2024 – Present

PhD student

SUN YAT-SEN UNIVERSITY (sysu.edu.cn)

2019 – 2024

Undergrad student

SUN YAT-SEN UNIVERSITY (sysu.edu.cn)

2015 – 2019

Advisors, Relations & Conflicts

PhD Advisor

Yuedong Yang

2019 – 2024

Expertise

Drug Discovery

Present

Graph Neural Network

Present

Mulit-modal/Multi-scale Learning

Present

Publications

Advancing retrosynthesis with retrieval-augmented graph generation
Anjie Qiao, Zhen WANG, Jiahua Rao, Yuedong Yang, Zhewei Wei
- OpenReview Archive Direct Upload
- Readers: Everyone
A geometric foundation model for enzyme retrieval with evolutionary insights
Yong Liu, Chenqing Hua, Menglong Xu, Tao Zeng, Jiahua Rao, Zhongyue Zhang, Ruibo Wu, Jing-Ke Weng, Connor W. Coley, Shuangjia Zheng
- Nature Catalysis
- Readers: Everyone
Advancing Protein Design via Multi-Agent Reinforcement Learning with Pareto-Based Collaborative Optimization
Mingming Zhu, Jiahua Rao, Xiaoyu Chen, Qianmu Yuan, Yuedong Yang
- Crossref
- Readers: Everyone
Deciphering RNA–ligand binding specificity with GerNA-Bind
Yunpeng Xia, Jiayi Li, Yi-Ting Chu, Jiahua Rao, Jing Chen, Chenqing Hua, Dong-Jun Yu, Xiu-Cai Chen, Shuangjia Zheng
- Nature Machine Intelligence
- Readers: Everyone
A Novel Framework for Multi-Modal Protein Representation Learning
Runjie Zheng, Zhen Wang, Anjie Qiao, Jiancong Xie, Jiahua Rao, Yuedong Yang
- CoRR 2025
- Readers: Everyone
Incorporating Retrieval-based Causal Learning with Information Bottlenecks for Interpretable Molecular Graph Learning
Jiahua Rao, Hanjing Lin, Jiancong Xie, Zhen Wang, Shuangjia Zheng, Yuedong Yang
- Crossref
- Readers: Everyone
Fitness aligned structural modeling enables scalable virtual screening with AuroBind
Zhongyue Zhang, Jiahua Rao, Jie Zhong, Weiqiang Bai, Dongxue Wang, Shaobo Ning, Lifeng Qiao, Sheng Xu, Runze Ma, Will Hua, Jack Xiaoyu Chen, Odin Zhang, Wei Lu, Hanyi Feng, He Yang, Xinchao Shi, Rui Li, Wanli Ouyang, Xinzhu Ma, Jiahao Wang et al. (5 additional authors not shown)
- CoRR 2025
- Readers: Everyone
A 3D pocket-aware lead optimization model with knowledge guidance and its application for discovery of new glutaminyl cyclase inhibitors
Anjie Qiao, Yuting Chen, Junjie Xie, Weifeng Huang, Hao Zhang, Qirui Deng, Jiahua Rao, Ji Deng, Fanbo Meng, Zhen Wang, Mingyuan Xu, Hongming Chen, Jiancong Xie, Shuangjia Zheng, Yuedong Yang, Guo-Bo Li, Jinping Lei
- Briefings Bioinform. 2025
- Readers: Everyone
RiboFlow: Conditional De Novo RNA Co-Design via Synergistic Flow Matching
Runze Ma, Zhongyue Zhang, Zichen Wang, Will Hua, Jiahua Rao, Zhuomin Zhou, Shuangjia Zheng
- NeurIPS 2025 poster
- Readers: Everyone
Accurately Predicting Protein Mutational Effects via a Hierarchical Many-Body Attention Network
Dahao Xu, Jiahua Rao, Mingming Zhu, Jixian Zhang, Wei Lu, Shuangjia Zheng, Yuedong Yang
- NeurIPS 2025 poster
- Readers: Everyone

View all 58 publications

Co-Authors

View all 116 co-authors