Tony Shen

I am a PhD student in Computing Science at Simon Fraser University, supervised by Dr. Martin Ester. My research focuses on structure-based drug design with generative flow networks and flow matching models.

Currently, I am also a visiting researcher at Northeastern University and Broad Institute of MIT and Harvard, where I work on foundation models for bio-molecular generation and antibiotics discovery applications under the supervision of Dr. Wengong Jin.

Previously, I worked as a Machine Learning Consultant at Transcripta Bio, where I conducted experiments on generative models and large scale virtual screening. Before that, I interned at Recursion, developing the map of Biology and Google, working on AI models for search.

Research Interests

My research is centered around AI for Drug Discovery, with a specific focus on:

• Foundation models for bio-molecular generation
• Generative Flow Networks (GFlowNets)
• Flow Matching and Diffusion Models
• Structure-based drug design