AI-driven Drug Discovery Research Topics

Dr. Li's research focuses on AI-driven drug discovery and optimization, utilizing deep learning techniques to accelerate the discovery of novel functional molecules for improved human health outcomes. Some of the current research interests in the lab include, but are not limited to:
  • developing deep learning algorithms for the design of small molecules, peptides, antibodies, and domain proteins to expedite the drug design pipeline and lead to potential drug candidates;

  • predicting molecular interactions through domain-tailored deep learning methods and molecular dynamics simulations;

  • exploring molecular structure-property relationships to guide the structure-based drug design and optimization;

  • analyzing multi-omics data, electronic health records, and medical imaging data for drug repurposing and synergistic combinations with machine learning methods;

  • advancing the capacity of machines to understand the intricate language of chemistry with natural language processing.

Dr. Li’s laboratory fosters a culture of interdisciplinary and translational collaboration to cultivate a dynamic and distinctive working environment. The lab endeavors to advance the frontiers of AI-driven drug discovery while propelling the field of artificial intelligence towards real-world applications in the life sciences.

Ph.D. Positions

Multiple fully-funded Computer Science or Pharmaceutical Sciences Ph.D. positions are available in Dr. Li's AI-driven Drug Discovery Lab at the University of Florida for Spring 2024 and Fall 2024. If interested, please contact Dr. Li with the following documentation:
  • A current CV, which should include your (1) undergraduate/graduate GPA and ranking, (2) TOEFL and GRE scores and percentile.

  • Unofficial undergraduate and graduate transcripts

  • Prior publications if available

You can apply for either the Computer Science or the Pharmaceutical Sciences programs. Please include Dr. Yanjun Li's name in your personal statement and feel free to contact him at any time, as positions are available until they are filled.

AIDD Postdoctoral Associate Position

One fully-funded postdoctoral position is currently available in Dr. Li's lab, starting immediately. Candidates are expected to have a recent Ph.D. degree or equivalent international degree (within the past 2 years) in computer science, electrical and computer engineering, data science, informatics, computational biology/chemistry, chemical engineering, biomedical engineering, or a related field. If interested, please contact Dr. Li with the following documentation:
  • A current CV, which should include your (1) undergraduate/graduate GPA and ranking, (2) publication records, (3) research experience and interests.

You can also directly apply via the link.

Bioinformatics Postdoctoral Associate Position

One fully-funded postdoctoral position is currently available in the Department of Medicinal Chemistry in the UF College of Pharmacy. Candidates are expected to have a recent Ph.D. degree or equivalent international degree (within the past 2 years) in computer science, data science, informatics, chemical engineering, biomedical engineering, synthetic biology, or a related field. or more information, please follow the link.

Research Assistant Positions

Multiple funded part-time and volunteer research assistant positions are available. If interested, please contact Dr. Li with the following documentation:
  • A current CV, which should include your (1) undergraduate/graduate GPA and ranking, (2) TOEFL and GRE scores and percentile.

  • Unofficial undergraduate and graduate transcripts

Other Positions

We also welcome visiting students and scholars and remote interns.

Why University of Florida?

  • Overall Ranking: Top-5 U.S. public university (USNews 2022)

  • College of Pharmacy Ranking: Top-5 among U.S. universities (USNews)

  • Computer Engineering Ranking: No.12 among U.S. public universities (USNews)

  • Computer Science Ranking: No. 24 among U.S. public universities (USNews)

  • AI initiative at UF: AI is the centerpiece of a major, long-term initiative at UF that is combining world-class research infrastructure, cutting-edge research, and a transformational approach to curriculum. UF has partnered with NVIDIA in a $70 million collaboration to establish the most powerful AI machine in US higher education. The machine comprises 140 NVIDIA DGX™ A100 systems, featuring 1,120 A100 GPUs.