Differentiable Manifold Reconstruction for Point Cloud Denoising. - Shitong Luo; Wei Hu 003 (ACM Multimedia, 2020)

Diffusion Probabilistic Models for 3D Point Cloud Generation. - Shitong Luo; Wei Hu 003 (CVPR, 2021)

Score-Based Point Cloud Denoising. - Shitong Luo; Wei Hu 003 (ICCV, 2021)

Unsupervised Learning of Geometric Sampling Invariant Representations for 3D Point Clouds. - Haolan Chen; Shitong Luo; Xiang Gao 014; Wei Hu 003 (ICCVW, 2021)

Learning Neural Generative Dynamics for Molecular Conformation Generation. - Minkai Xu; Shitong Luo; Yoshua Bengio; Jian Peng 001; Jian Tang 005 (ICLR, 2021)

Learning Gradient Fields for Molecular Conformation Generation. - Chence Shi; Shitong Luo; Minkai Xu; Jian Tang 005 (ICML, 2021)

An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming. - Minkai Xu; Wujie Wang; Shitong Luo; Chence Shi; Yoshua Bengio; Rafael Gómez-Bombarelli; Jian Tang 005 (ICML, 2021)

A 3D Generative Model for Structure-Based Drug Design. - Shitong Luo; Jiaqi Guan; Jianzhu Ma; Jian Peng 001 (NeurIPS, 2021)

Predicting Molecular Conformation via Dynamic Graph Score Matching. - Shitong Luo; Chence Shi; Minkai Xu; Jian Tang 005 (NeurIPS, 2021)

EBM-Fold: Fully-Differentiable Protein Folding Powered by Energy-based Models. - Jiaxiang Wu 001; Shitong Luo; Tao Shen; Haidong Lan; Sheng Wang 001; Junzhou Huang (CoRR, 2021)

Equivariant Point Cloud Analysis via Learning Orientations for Message Passing. - Shitong Luo; Jiahan Li; Jiaqi Guan; Yufeng Su; Chaoran Cheng; Jian Peng 001; Jianzhu Ma (CVPR, 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)

Directed Weight Neural Networks for Protein Structure Representation Learning. - Jiahan Li; Shitong Luo; Congyue Deng; Chaoran Cheng; Jiaqi Guan; Leonidas J. Guibas; Jian Peng 001; Jianzhu Ma (CoRR, 2022)

A 3D Molecule Generative Model for Structure-Based Drug Design. - Shitong Luo; Jiaqi Guan; Jianzhu Ma; Jian Peng 001 (CoRR, 2022)

Rotamer Density Estimator is an Unsupervised Learner of the Effect of Mutations on Protein-Protein Interaction. - Shitong Luo; Yufeng Su; Zuofan Wu; Chenpeng Su; Jian Peng 001; Jianzhu Ma (ICLR, 2023)

Deep Point Set Resampling via Gradient Fields. - Haolan Chen; Bi'an Du; Shitong Luo; Wei Hu 003 (IEEE Trans. Pattern Anal. Mach. Intell., 2023)

Full-Atom Peptide Design based on Multi-modal Flow Matching. - Jiahan Li; Chaoran Cheng; Zuofan Wu; Ruihan Guo; Shitong Luo; Zhizhou Ren; Jian Peng 001; Jianzhu Ma (ICML, 2024)

Projecting Molecules into Synthesizable Chemical Spaces. - Shitong Luo; Wenhao Gao 001; Zuofan Wu; Jian Peng 001; Connor W. Coley; Jianzhu Ma (ICML, 2024)

FAFE: Immune Complex Modeling with Geodesic Distance Loss on Noisy Group Frames. - Ruidong Wu; Ruihan Guo; Rui Wang; Shitong Luo; Yue Xu; Jiahan Li; Jianzhu Ma; Qiang Liu 001; Yunan Luo; Jian Peng 001 (ICML, 2024)

Enhancing Protein Mutation Effect Prediction through a Retrieval-Augmented Framework. - Ruihan Guo; Rui Wang; Ruidong Wu; Zhizhou Ren; Jiahan Li; Shitong Luo; Zuofan Wu; Qiang Liu 001; Jian Peng 001; Jianzhu Ma (NeurIPS, 2024)

Generative Artificial Intelligence for Navigating Synthesizable Chemical Space. - Wenhao Gao 001; Shitong Luo; Connor W. Coley (CoRR, 2024)

Hotspot-Driven Peptide Design via Multi-Fragment Autoregressive Extension. - Jiahan Li; Tong Chen; Shitong Luo; Chaoran Cheng; Jiaqi Guan; Ruihan Guo; Sheng Wang 001; Ge Liu; Jian Peng 001; Jianzhu Ma (CoRR, 2024)

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)

Orientation-Aware Networks for Protein Structure Representation Learning. - Jiahan Li; Shitong Luo; Congyue Deng; Chaoran Cheng; Jiaqi Guan; Leonidas J. Guibas; Jian Peng 001; Jianzhu Ma (RECOMB, 2025)