Rao, Jiahua

10 publications

NeurIPS 2025 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

AAAI 2025 Advancing Retrosynthesis with Retrieval-Augmented Graph Generation Anjie Qiao, Zhen Wang, Jiahua Rao, Yuedong Yang, Zhewei Wei

CVPR 2025 Multi-Modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery Jiahua Rao, Hanjing Lin, Leyu Chen, Jiancong Xie, Shuangjia Zheng, Yuedong Yang

ICML 2025 Quadruple Attention in Many-Body Systems for Accurate Molecular Property Predictions Jiahua Rao, Dahao Xu, Wentao Wei, Yicong Chen, Mingjun Yang, Yuedong Yang

NeurIPS 2025 Reinforced Active Learning for Large-Scale Virtual Screening with Learnable Policy Model Yicong Chen, Jiahua Rao, Jiancong Xie, Dahao Xu, Zhen Wang, Yuedong Yang

NeurIPS 2025 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

NeurIPSW 2024 AlphaFold3, a Secret Sauce for Predicting Mutational Effects on Protein-Protein Interactions Wei Lu, Jixian Zhang, Jiahua Rao, Zhongyue Zhang, Shuangjia Zheng

IJCAI 2022 Communicative Subgraph Representation Learning for Multi-Relational Inductive Drug-Gene Interaction Prediction Jiahua Rao, Shuangjia Zheng, Sijie Mai, Yuedong Yang

NeurIPS 2022 TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction Wei Lu, Qifeng Wu, Jixian Zhang, Jiahua Rao, Chengtao Li, Shuangjia Zheng

IJCAI 2021 Learning Attributed Graph Representation with Communicative Message Passing Transformer Jianwen Chen, Shuangjia Zheng, Ying Song, Jiahua Rao, Yuedong Yang