Ziyu She earned her Bachelor's degree in Applied Statistics from Guangdong University of Technology and Master's degree in Applied Mathematics from Sun Yat-sen University.

In 2021, she began her role as a research assistant in Computer Vision at Polytechnic University of Milan. In December 2023, she embarked on her Ph.D. journey in AI drug discovery within the Computational Pharmacy group, under the supervision of Prof. Markus Lill.