Peng, Xingang

10 publications

ICML 2025 Geometric Representation Condition Improves Equivariant Molecule Generation Zian Li, Cai Zhou, Xiyuan Wang, Xingang Peng, Muhan Zhang

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

ICLR 2023 Boosting the Cycle Counting Power of Graph Neural Networks with I$^2$-GNNs Yinan Huang, Xingang Peng, Jianzhu Ma, Muhan Zhang

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

ICML 2022 3DLinker: An E(3) Equivariant Variational Autoencoder for Molecular Linker Design Yinan Huang, Xingang Peng, Jianzhu Ma, Muhan Zhang

NeurIPS 2022 Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures Shitong Luo, Yufeng Su, Xingang Peng, Sheng Wang, 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