Andrew Y. Zhou

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Hi! I am a third-year Computer Science / Applied Mathematics undergraduate student at UC San Diego. I am fortunate to be advised by Dr. Rose Yu and Dr. Michael K. Gilson in researching the application of machine learning to problems in small-molecule drug discovery. My current research focus is on exploring agentic function-calling frameworks for multi-objective ligand optimization. My primary research interests are in deep generative modeling, AI4Science, LLMs, and computational drug discovery.

Education

  • University of California San Diego (Sept. 2023 - June 2027 projected)
    • B.S. Computer Science, B.S. Applied Mathematics
    • 3.983 GPA

Honors and Awards

  • 7x UCSD Provost Honors (Dean’s List)
  • Valedictorian (Francis Parker School Class of 2023)
  • National Merit Scholarship Finalist ($2500 award)

Publications

  • Andrew Y. Zhou, Sharvaree Vadgama, Sumanth Varambally, Peter Eckmann, Michael K. Gilson, Rose Yu, “ToolMol: Evolutionary Agentic Framework for Multi-objective Drug Discovery”, https://arxiv.org/abs/2605.12784. Under review.

  • Andrew Y. Zhou, Peter Eckmann, Sumanth Varambally, Michael K. Gilson, Rose Yu , “MOLLEO+: Towards Optimized Use of LLMs for Drug Discovery”, https://azhou2023.github.io/assets/pdf/MOLLEO+.pdf