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yvquanli/README.md

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.

🎓 Education

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)

🧑‍💻 Work Experience

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)

🏛️ Academic Services

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

Pinned Loading

  1. GLAM GLAM Public

    Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".

    Python 41 12

  2. TrimNet TrimNet Public

    Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "

    Python 59 20