Jiaqi Guan

Researcher, ByteDance Inc.

Joined

July 2019

Names

Jiaqi Guan

Emails

****@illinois.edu (Confirmed)

****@bytedance.com (Confirmed)

****@gmail.com (Confirmed)

Personal Links

Homepage

Google Scholar

DBLP

Career & Education History

Researcher

ByteDance Inc. (bytedance.com)

2024 – Present

PhD student

Computer Science, University of Illinois, Urbana Champaign (illinois.edu)

2019 – 2024

Intern

Bytedance AI Lab (bytedance.com)

2022 – 2022

Advisors, Relations & Conflicts

PhD Advisor

Jian Peng

2019 – 2024

Expertise

graph neural networks

generative models

geometric machine learning

deep learning

Present

computational chemistry

computational biology

machine learning

Present

Publications

Protenix - Advancing Structure Prediction Through a Comprehensive AlphaFold3 Reproduction
Xinshi Chen, Yuxuan Zhang, Chan Lu, Wenzhi Ma, Jiaqi Guan, Chengyue Gong, Jincai Yang, Hanyu Zhang, Ke Zhang, Shenghao Wu, Kuangqi Zhou, Yanping Yang, Zhenyu Liu, Lan Wang, Bo Shi, Shaochen Shi, Wenzhi Xiao
- OpenReview Archive Direct Upload
- Readers: Everyone
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
- ICLR 2025 Poster
- Readers: Everyone
Group Ligands Docking to Protein Pockets
Jiaqi Guan, Jiahan Li, Xiangxin Zhou, Xingang Peng, Sheng Wang, Yunan Luo, Jian Peng, Jianzhu Ma
- ICLR 2025 Poster
- Readers: Everyone
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 Poster
- Readers: Everyone
Reprogramming Pretrained Target-Specific Diffusion Models for Dual-Target Drug Design
Xiangxin Zhou, Jiaqi Guan, Yijia Zhang, Xingang Peng, Liang Wang, Jianzhu Ma
- NeurIPS 2024 poster
- Readers: Everyone
LinkerNet: Fragment Poses and Linker Co-Design with 3D Equivariant Diffusion
Jiaqi Guan, Xingang Peng, Peiqi Jiang, Yunan Luo, Jian Peng, Jianzhu Ma
- NeurIPS 2023 spotlight
- Readers: Everyone
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
- ICML 2023 Poster
- Readers: Everyone
MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation
Xingang Peng, Jiaqi Guan, qiang liu, Jianzhu Ma
- ICML 2023 Poster
- Readers: Everyone
3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction
Jiaqi Guan, Wesley Wei Qian, Xingang Peng, Yufeng Su, Jian Peng, Jianzhu Ma
- 2023 (modified: 16 Apr 2023)
- CoRR 2023
- Readers: Everyone
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
- Published: 01 Jan 2023, Last Modified: 02 Oct 2023
- ICML 2023
- Readers: Everyone

View all 26 publications

Co-Authors

View all 55 co-authors