Hi there! I am Mujie Lin(林慕婕), an M.Phil. student in Computer Science at Peking University. Before that, I received my B.S. in Biotechnology from South China University of Technology, with a minor in Computer Science.
My research interests include AI for Science, computational biology, AI-driven drug discovery, and generative modeling for biomolecular dynamics. I am especially interested in building reliable deep learning systems that connect scientific data, foundation models, and deployable research tools.
Research Interests
- Generative modeling for biomolecular dynamics: spatio-temporal/spatio-spectral, autoregressive, and diffusion-based models for long-horizon protein and molecular dynamics generation, conformational ensemble modeling, and dynamics-aware design.
- Protein and molecular design: structure-conditioned generation, protein–ligand/co-design, and dynamics-guided biomolecular design.
- AI-driven drug discovery: molecular representation learning, property and phenotype prediction, virtual screening for medicinal chemistry.
- Scientific foundation models and evaluation: multimodal and language models for scientific literature understanding, molecular knowledge reasoning, AI4S benchmarks, and agentic evaluation pipelines.
News
- 2026.06: SyntheticBench (work done during internship at Syneron Bio & KAUST Center of Excellence on Generative AI) accepted to Genomics, Proteomics & Bioinformatics (SCI, JCR Q1 TOP, IF = 13.9).
- 2026.05: BioDynaSpec (first-author work) accepted to ICML 2026.
- 2025.11: ProAR accepted to AAAI 2026.
- 2025.06: Contributed to MiniMax-M1 in the MiniMax Foundation Language Model Team.
- 2025.05: ADCNet published in Briefings in Bioinformatics (SCI, JCR Q1, IF = 8.7).
- 2025.01: SciAssess (work done during internship at DP Technology) accepted to NAACL 2025 Findings.
- 2024.05: MalariaFlow (first-author work) published in European Journal of Medicinal Chemistry (SCI, JCR Q1, IF = 6.4).
- 2023.11: FG-BERT (second-author work) published in Briefings in Bioinformatics (SCI, JCR Q1, IF = 8.7).
Selected Publications and Preprints
Mujie Lin, Yutian Liu, Yudi Guo, Yanzhen Hou, Yiheng Tao, Ruochong Zheng, Kaiwen Cheng, Xin Shan, Youdong Mao, Jie Chen
Spatio-spectral generative modeling for long-horizon protein dynamics, reducing trajectory error by over 60% on ATLAS.
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
[Paper]
Probabilistic autoregressive generation of molecular dynamics trajectories with anti-drifting sampling for long-horizon stability.
MiniMax-M1: Scaling Test-Time Compute Efficiently with Lightning Attention
Aili Chen, Aonian Li, …, Mujie Lin, …, et al.
Open-weight hybrid-attention reasoning model. I built automated evaluation infrastructure and reasoning benchmarks for large-scale model iteration.
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
A unified deep learning framework for antibody-drug conjugate activity prediction, integrating antigen, antibody, linker, payload, and DAR representations.
Mujie Lin, Junxi Cai, Yuancheng Wei, Xinru Peng, Qianhui Luo, Biaoshun Li, Yihao Chen, Ling Wang
A curated antimalarial activity prediction platform for multistage phenotypic drug discovery.
Uni-SMART: Universal Science Multimodal Analysis and Research Transformer
Hengxing Cai, Xiaochen Cai, Shuwen Yang, Jiankun Wang, Lin Yao, …, Mujie Lin, …, Guolin Ke
Multimodal scientific literature understanding for molecules, tables, and charts; featured as Hugging Face Paper of the Day.
Biaoshun Li, Mujie Lin, Tiegen Chen, Ling Wang
Functional-group-based molecular representation learning for transferable molecular property prediction, pertained based on ~1.45 million unlabeled drug-like molecules.
Honors and Awards
- Chinese National Scholarship, 2022-2023
- Challenge Cup National Competition, Grand Prize, jointly responsible
- National College Student Innovation Training Program, Outstanding Completion, project leader
Educations
- 2025.09 - now, M.Phil. student in Computer Science and Technology, Peking University
- 2021.09 - 2025.06, B.S. in Biotechnology, South China University of Technology
- 2022.09 - 2025.06, Minor in Computer Science, South China University of Technology
Internships
- 2025.02 - 2025.08, LLM Algorithm Intern, Foundation Language Model Team, MiniMax
- 2024.12 - 2025.03, Machine Learning Research Intern, Syneron Bio & KAUST Center of Excellence on Generative AI
- 2024.07 - 2024.08, Visiting Student, AI Computational Biology Lab, Westlake University
- 2023.07 - 2024.03, AI4S Innovative Algorithm Researcher Intern, DP Technology
Academic Service
- Journal reviewer: Scientific Reports, Bioinformatics, Molecular Diversity
- Conference reviewer: ACM MM 2026, NeurIPS 2026