Publications
( $^*$ indicates equal contribution. )
- 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction.
Jiaqi Guan$^*$, Wesley Wei Qian$^*$, Xingang Peng, Yufeng Su, Jian Peng, Jianzhu Ma.
In 11th International Conference on Learning Representations (ICLR) 2023. - Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets.
Xingang Peng, Shitong Luo, Jiaqi Guan, Qi Xie, Jian Peng, Jianzhu Ma.
In 29th International Conference on Machine Learning (ICML) 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.
In Conference on Computer Vision and Pattern Recognition (CVPR) 2022. Oral Presentation. - Energy-Inspired Molecular Conformation Optimization.
Jiaqi Guan$^*$, Wesley Wei Qian$^*$, Qiang Liu, Wei-Ying Ma, Jianzhu Ma, Jian Peng.
In 10th International Conference on Learning Representations (ICLR) 2022. - A 3D Generative Model for Structure-Based Drug Design.
Shitong Luo, Jiaqi Guan, Jianzhu Ma, Jian Peng.
In Thirty-fifth Conference on Neural Information Processing Systems (NeurIPS) 2021. - Generative Hybrid Representations for Activity Forecasting with No-Regret Learning.
Jiaqi Guan, Ye Yuan, Kris M. Kitani, Nicholas Rhinehart.
In Conference on Computer Vision and Pattern Recognition (CVPR) 2020. Oral Presentation. - A Method for Generating Synthetic Electronic Medical Record Text.
Jiaqi Guan, Runzhe Li, Sheng Yu, Xuegong Zhang.
In IEEE/ACM transactions on computational biology and bioinformatics (TCBB). - Generation of Synthetic Electronic Medical Record Text.
Jiaqi Guan, Runzhe Li, Sheng Yu, Xuegong Zhang.
In IEEE International Conference on Bioinformatics and Biomedicine (BIBM) 2018. - Energy-efficient Amortized Inference with Cascaded Deep Classifiers.
Jiaqi Guan, Yang Liu, Qiang Liu, Jian Peng.
In 27th International Joint Conference on Artificial Intelligence (IJCAI) 2018.