CV

Education

• M.Phil. in Computer Science, Peking University, 2025–2028 (expected)
  • GPA: 3.8/4.0
  • Core courses: Artificial Intelligence (A+), 3D Vision and Computational Photography (A+), Computer Graphics (A+)
• B.S. in Biotechnology, South China University of Technology (985), 2021–2025
  • Overall rank: 1/56
• B.E. in Computer Science (Minor), South China University of Technology (985), 2022–2025

Research experience

• LLM Algorithm Intern, MiniMax Co., Ltd. (Foundation Language Model Team), Beijing, Feb–Aug 2025
  • Contributor to MiniMax-M1; GitHub 3.2k+ ★ · HF #1 Paper of the Day
• Machine Learning Research Intern, Syneron Bio & KAUST Center of Excellence on Generative AI (Supervised by Xin Gao), Dec 2024–Mar 2025
• Visiting Student, AI Computational Biology Lab, Westlake University, Jul–Aug 2024
• AI4S Innovative Algorithm Researcher (Intern), DP Technology Co., Ltd., Jul 2023–Mar 2024
• Undergraduate Researcher, AI & Medicinal Chemistry Laboratory, SCUT, Dec 2021–Jul 2025

Research interests

Artificial Intelligence-Driven Drug Discovery (AIDD), computational biology, generative modeling for protein/molecular dynamics, and LLM for Science.

Publications

Structure Prediction of Peptides Containing Non-Canonical Amino Acids: A Comprehensive Benchmark of Full-Atom Prediction Algorithms

Yu Wang, Yifan Deng, Fuming Zeng, Mujie Lin, Tao Guo, Bin Cong, Shiwei Sun, Xin Gao. "Structure Prediction of Peptides Containing Non-Canonical Amino Acids: A Comprehensive Benchmark of Full-Atom Prediction Algorithms." Genomics, Proteomics & Bioinformatics, accepted, 2026.

BioDynaSpec: Harmonic-Guided Spatio-Spectral Autoregressive Diffusion for Protein Dynamics Generation

Mujie Lin, Yutian Liu, Yudi Guo, Yanzhen Hou, Yiheng Tao, Ruochong Zheng, Kaiwen Cheng, Xin Shan, Youdong Mao, Jie Chen. "BioDynaSpec: Harmonic-Guided Spatio-Spectral Autoregressive Diffusion for Protein Dynamics Generation." ICML, 2026.

Training-free diffusion acceleration (manuscript under review)

Authors withheld during peer review.

ProAR: Probabilistic Autoregressive Modeling for Molecular Dynamics

Kaiwen Cheng, Yutian Liu, Zhiwei Nie, Mujie Lin, Yanzhen Hou, Yiheng Tao, Chang Liu, Jie Chen, Youdong Mao, Yonghong Tian. "ProAR: Probabilistic Autoregressive Modeling for Molecular Dynamics." AAAI, 2026.

MiniMax-M1: Scaling Test-Time Compute Efficiently with Lightning Attention

Aili Chen, Aonian Li, ..., Mujie Lin, ..., et al. "MiniMax-M1: Scaling Test-Time Compute Efficiently with Lightning Attention." arXiv:2506.13585, 2025.

ADCNet: a unified framework for predicting the activity of antibody-drug conjugates

Liye Chen#, Biaoshun Li#, Yihao Chen#, Mujie Lin, Shipeng Zhang, Chenxin Li, Yu Pang, Ling Wang. "ADCNet: a unified framework for predicting the activity of antibody-drug conjugates." Brief. Bioinform., 2025.

SciAssess: Benchmarking LLM Proficiency in Scientific Literature Analysis

Hengxing Cai#, Xiaochen Cai#, Junhan Chang#, Sihang Li#, ..., Mujie Lin, ..., Linfeng Zhang, Guolin Ke. "SciAssess." NAACL Findings, 2025.

MalariaFlow: A Comprehensive Deep Learning Platform for Multistage Phenotypic Antimalarial Drug Discovery

Mujie Lin, Junxi Cai, Yuancheng Wei, Xinru Peng, Qianhui Luo, Biaoshun Li, Yihao Chen, Ling Wang. "MalariaFlow: A Comprehensive Deep Learning Platform for Multistage Phenotypic Antimalarial Drug Discovery." Eur. J. Med. Chem., 2024.

MMSyn: A New Multimodal Deep Learning Framework for Enhanced Prediction of Synergistic Drug Combinations

Yu Pang#, Yihao Chen#, Mujie Lin, Yanhong Zhang, Jiquan Zhang, Ling Wang. "MMSyn." J. Chem. Inf. Model., 2024.

Uni-SMART: Universal Science Multimodal Analysis and Research Transformer

Hengxing Cai, Xiaochen Cai, Shuwen Yang, Jiankun Wang, Lin Yao, Zhifeng Gao, Junhan Chang, Sihang Li, Mingjun Xu, Changxin Wang, Hongshuai Wang, Yongge Li, Mujie Lin, Yaqi Li, Yuqi Yin, Zheng Cheng, Zifeng Zhao, Linfeng Zhang, Guolin Ke. "Uni-SMART: Universal Science Multimodal Analysis and Research Transformer." arXiv:2403.10301, 2024.

FG-BERT: a generalized and self-supervised functional group-based molecular representation learning framework for properties prediction

Biaoshun Li, Mujie Lin, Tiegen Chen, Ling Wang. "FG-BERT." Brief. Bioinform., 2023.

DeepCancerMap: A versatile deep learning platform for target- and cell-based anticancer drug discovery

Jingxing Wu#, Yi Xiao#, Mujie Lin#, Hanxuan Cai, Duancheng Zhao, Yirui Li, Hailin Luo, Chuanqi Tang, Ling Wang. "DeepCancerMap." Eur. J. Med. Chem., 2023.

Academic service

• Journal reviewer: Scientific Reports (2025), Bioinformatics (2025), Molecular Diversity (2025)
• Conference reviewer: ACM MM 2026, NeurIPS 2026

Selected honors

• Chinese National Scholarship, 2022–2023
• Challenge Cup National Competition, Grand Prize (Top 0.01%), Jointly Responsible
• National College Student Innovation Training Program, Outstanding Completion (Project Leader)

Full résumé