I am a postdoctoral researcher at the School of Chinese Medicine, Hong Kong Baptist University, working at the intersection of artificial intelligence, drug design, and scientific software. I received my Ph.D. in Computer Science from the National University of Defense Technology, where my work focused on molecular property prediction, molecular generation and optimization, and diffusion-based 3D lead generation and optimization.

My research emphasizes not only model performance, but also practical utility for biomedical discovery. Across publications, platforms, and collaborative research projects, I aim to turn advanced AI methods into usable infrastructure for medicinal chemistry, decision support, and real-world scientific workflows.

Beyond science, I am fascinated by the Yijing (The Book of Changes), an ancient Chinese philosophy that explores the dynamic balance of the universe. I see it as a timeless algorithm, offering insights into interconnectedness — whether decoding molecular structures or interpreting hexagrams, I enjoy uncovering hidden patterns and making sense of complexity.

📰News

🧬Research

  • AI-Enabled Drug Design

    Molecular property prediction, generative optimization, molecular docking, and large-scale virtual screening.

  • Biomedical AI Platforms

    Deployable, one-stop scientific platforms for biomedicine and decision support.

  • LLM-Augmented Scientific Workflows

    Large language model agents for drug-discovery workflows.

🚀Platforms

10+ open-source platforms · 5.5M+ visits from 100+ countries · 5 software copyrights

DrugStudio

A one-stop intelligent drug design platform for molecular modeling and scientific workflows.

MindDance

WeChat official account sharing research notes, ideas, and updates on AI for drug discovery.

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