Jia, Yinjun

8 publications

NeurIPS 2025 AANet: Virtual Screening Under Structural Uncertainty via Alignment and Aggregation Wenyu Zhu, Jianhui Wang, Bowen Gao, Yinjun Jia, Haichuan Tan, Ya-Qin Zhang, Wei-Ying Ma, Yanyan Lan

NeurIPS 2025 CPSea: Large-Scale Cyclic Peptide-Protein Complex Dataset for Machine Learning in Cyclic Peptide Design Ziyi Yang, Hanyuan Xie, Yinjun Jia, Xiangzhe Kong, Jiqing Zheng, Ziting Zhang, Yang Liu, Lei Liu, Yanyan Lan

NeurIPS 2025 Manipulating 3D Molecules in a Fixed-Dimensional E(3)-Equivariant Latent Space Zitao Chen, Yinjun Jia, Zitong Tian, Wei-Ying Ma, Yanyan Lan

ICLR 2025 Redefining the Task of Bioactivity Prediction Yanwen Huang, Bowen Gao, Yinjun Jia, Hongbo Ma, Wei-Ying Ma, Ya-Qin Zhang, Yanyan Lan

NeurIPS 2024 Full-Atom Peptide Design with Geometric Latent Diffusion Xiangzhe Kong, Yinjun Jia, Wenbing Huang, Yang Liu

ICLR 2024 Protein-Ligand Binding Representation Learning from Fine-Grained Interactions Shikun Feng, Minghao Li, Yinjun Jia, Wei-Ying Ma, Yanyan Lan

ICLR 2024 Self-Supervised Pocket Pretraining via Protein Fragment-Surroundings Alignment Bowen Gao, Yinjun Jia, YuanLe Mo, Yuyan Ni, Wei-Ying Ma, Zhi-Ming Ma, Yanyan Lan

NeurIPS 2023 DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening Bowen Gao, Bo Qiang, Haichuan Tan, Yinjun Jia, Minsi Ren, Minsi Lu, Jingjing Liu, Wei-Ying Ma, Yanyan Lan