3-D Reconstruction of Three Views Based on Manifold Study. - Cong Li; Hongrui Zhao; Gang Fu; Xingang Peng (IGTA, 2014)

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

Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets. - Xingang Peng; Shitong Luo; Jiaqi Guan; Qi Xie; Jian Peng 001; Jianzhu Ma (ICML, 2022)

Antigen-Specific Antibody Design and Optimization with Diffusion-Based Generative Models for Protein Structures. - Shitong Luo; Yufeng Su; Xingang Peng; Sheng Wang 001; Jian Peng 001; Jianzhu Ma (NeurIPS, 2022)

Boosting the Cycle Counting Power of Graph Neural Networks with I2-GNNs. - Yinan Huang; Xingang Peng; Jianzhu Ma; Muhan Zhang (CoRR, 2022)

MobilePrune: Neural Network Compression via ℓ0 Sparse Group Lasso on the Mobile System. - Yubo Shao; Kaikai Zhao; Zhiwen Cao; Zhehao Peng; Xingang Peng; Pan Li 005; Yijie Wang; Jianzhu Ma (Sensors, 2022)

3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction. - Jiaqi Guan; Wesley Wei Qian; Xingang Peng; Yufeng Su; Jian Peng 001; 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 (ICLR, 2023)

MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation. - Xingang Peng; Jiaqi Guan; Qiang Liu 001; Jianzhu Ma (ICML, 2023)

LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion. - Jiaqi Guan; Xingang Peng; Peiqi Jiang; Yunan Luo; Jian Peng 001; Jianzhu Ma (NeurIPS, 2023)

Characterizing the interaction conformation between T-cell receptors and epitopes with deep learning. - Xingang Peng; Yipin Lei; Peiyuan Feng; Lemei Jia; Jianzhu Ma; Dan Zhao 004; Jianyang Zeng 001 (Nat. Mac. Intell., 2023)

Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design. - Xiangxin Zhou; Jiaqi Guan; Yijia Zhang; Xingang Peng; Liang Wang 001; Jianzhu Ma (NeurIPS, 2024)

Geometric Representation Condition Improves Equivariant Molecule Generation. - Zian Li; Cai Zhou; Xiyuan Wang; Xingang Peng; Muhan Zhang (CoRR, 2024)

Group Ligands Docking to Protein Pockets. - Jiaqi Guan; Jiahan Li; Xiangxin Zhou; Xingang Peng; Sheng Wang 001; Yunan Luo; Jian Peng 001; Jianzhu Ma (ICLR, 2025)

Rag2Mol: structure-based drug design based on retrieval augmented generation. - Peidong Zhang; Xingang Peng; Rong Han; Ting Chen 006; Jianzhu Ma (Briefings Bioinform., 2025)