Long-term engagement in AI for Science research. Addressing the bottlenecks of high difficulty, high cost, and long cycles in molecular design, I conduct AI-driven de novo design of small molecules, peptides, proteins, and nucleic acids. My research focuses on the "Expert Wisdom + General AI + Specialized AI + Wet Lab Robot" four-in-one collaborative molecular design theory, constructing a full-chain dry-wet closed-loop intelligent molecular design platform, aiming to significantly improve the success rate and efficiency of molecular design. Related work has been published in journals such as Nature Machine Intelligence and Advanced Science as the lead author. Current research interests include:
- AI Basic Research: Agents and Swarm Intelligence, Molecular Representation Learning and Generative Design
- AI for Science Research: De novo Design of Small Molecules/Peptides/Proteins/Small Nucleic Acids/Materials, Synthesis Planning, Target Discovery, Smart Plant Protection
Contact: I look forward to connecting with experts and students to exchange new ideas (WeChat: yvquanli).
Call for Papers: Welcome to contact me for submissions to TIDD/Innovation/Exploration/iMeta journals. High-quality manuscripts can be prioritized for review.
Recruiting: Recruiting Master's/Ph.D. students/Joint Training/Interns. I promise not to steal first authorship, not to be abusive, and not to delay graduation. Introductory training upon enrollment, detailed guidance throughout the process, abundant diverse computing resources. I help every student produce a first-author Q1/A-conference paper, and fully support excellent students in publishing in sub-journals.
| Period | Institution & Degree |
|---|---|
| 2019.9 - 2024.6 | Ph.D. & Master - Lanzhou University, School of Chemistry and Chemical Engineering (Major: Chemoinformatics, Supervisor: Prof. Xiaojun Yao) |
| 2015.9 - 2019.6 | Bachelor - Qinghai University, School of Computer Science (Major: Computer Science and Technology) |
| Period | Role & Institution |
|---|---|
| 2024.10 - Present | Guizhou University, State Key Laboratory of Public Big Data / College of Computer Science and Technology, Special-term Professor |
| 2024.10 - Present | Guizhou University, State Key Laboratory of Green Pesticide, Visiting Researcher |
| 2022.7 - 2023.4 | Beijing Academy of Artificial Intelligence (BAAI) Jie Fu's Team, Research Intern |
| 2020.8 - 2022.6 | Tencent Quantum Lab, Joint Training (Co-supervisor: Dr. Changyu Hsieh) |
| Period | Service / Role |
|---|---|
| 2026.1 - Present | "The Innovation Drug Discovery" (Target IF~20), Founding Committee Member, Executive Editorial Board Member |
| 2025.8 - Present | "The Innovation" (Comprehensive Q1 IF=25.7), Youth Editorial Board Member |
| 2025.8 - Present | "iMeta" (Biology Q1 IF=33.2), Youth Editorial Board Member |
| 2024.9 - Present | "Exploration" (Comprehensive Q1 IF=22.5), Youth Editorial Board Member, Deputy Director of Plant Division of Youth Committee |
| 2024.8 - Present | China-Sri Lanka Joint Laboratory for Green Prevention and Control of Tea Pests and Diseases (Belt and Road), Founding Participant |
| 2026.1 | The 6th International Conference on Green Plant Protection Innovation, Organizing Committee |
| 2025.1, 2025.8 | Guizhou Provincial Big Data Bureau Project Artificial Intelligence Industry Direction Review Expert Group, Leader |


