Guan, Jiaqi

13 publications

ICLR 2025 Group Ligands Docking to Protein Pockets Jiaqi Guan, Jiahan Li, Xiangxin Zhou, Xingang Peng, Sheng Wang, Yunan Luo, Jian Peng, Jianzhu Ma

ICLR 2025 Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension Jiahan Li, Tong Chen, Shitong Luo, Chaoran Cheng, Jiaqi Guan, Ruihan Guo, Sheng Wang, Ge Liu, Jian Peng, Jianzhu Ma

ICLR 2025 Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows Xiangxin Zhou, Yi Xiao, Haowei Lin, Xinheng He, Jiaqi Guan, Yang Wang, Qiang Liu, Feng Zhou, Liang Wang, Jianzhu Ma

NeurIPS 2024 Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design Xiangxin Zhou, Jiaqi Guan, Yijia Zhang, Xingang Peng, Liang Wang, Jianzhu Ma

ICLR 2023 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction Jiaqi Guan, Wesley Wei Qian, Xingang Peng, Yufeng Su, Jian Peng, Jianzhu Ma

ICML 2023 DecompDiff: Diffusion Models with Decomposed Priors for Structure-Based Drug Design Jiaqi Guan, Xiangxin Zhou, Yuwei Yang, Yu Bao, Jian Peng, Jianzhu Ma, Qiang Liu, Liang Wang, Quanquan Gu

NeurIPS 2023 LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion Jiaqi Guan, Xingang Peng, PeiQi Jiang, Yunan Luo, Jian Peng, Jianzhu Ma

ICML 2023 MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation Xingang Peng, Jiaqi Guan, Qiang Liu, Jianzhu Ma

ICLR 2022 Energy-Inspired Molecular Conformation Optimization Jiaqi Guan, Wesley Wei Qian, Qiang Liu, Wei-Ying Ma, Jianzhu Ma, Jian Peng

CVPR 2022 Equivariant Point Cloud Analysis via Learning Orientations for Message Passing Shitong Luo, Jiahan Li, Jiaqi Guan, Yufeng Su, Chaoran Cheng, Jian Peng, Jianzhu Ma

ICML 2022 Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets Xingang Peng, Shitong Luo, Jiaqi Guan, Qi Xie, Jian Peng, Jianzhu Ma

NeurIPS 2021 A 3D Generative Model for Structure-Based Drug Design Shitong Luo, Jiaqi Guan, Jianzhu Ma, Jian Peng

IJCAI 2018 Energy-Efficient Amortized Inference with Cascaded Deep Classifiers Jiaqi Guan, Yang Liu, Qiang Liu, Jian Peng