Peining Zhang

Computer Science Ph.D. student, University of Connecticut

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Email: peining.zhang@uconn.edu [CV]

I am a 3rd-year Ph.D. student in the Computer Science and Engineering department of the University of Connecticut, advised by Prof. Jinbo Bi.

I received my master’s degree in computer science from Rutgers University and my bachelor’s degree from the University of Science and Technology of China (USTC), where I was advised by Prof. Linli Xu. My earlier work includes generative models for NLP and machine learning for personalized advertising at Kuaishou.

My current research focuses on 3D generative models and drug discovery. In particular, I develop diffusion models for generating physically realistic molecules, including molecules designed for specific protein binding pockets.

news

Sep 2026 Our paper PocketVE: Stable and Property-Guided Structure-Based Drug Design with Variance-Exploding Diffusion was accepted to NeurIPS 2026.
Nov 2025 Our paper VEDA: Generation of 3D Molecules via Variance-Exploding Diffusion with Annealing was accepted as an Oral paper at AAAI 2026.
Jun 2025 Our review Unraveling the Potential of Diffusion Models in Small Molecule Generation was accepted for publication in Drug Discovery Today.

selected publications

  1. PocketVE: Stable and Property-Guided Structure-Based Drug Design with Variance-Exploding Diffusion
    Peining Zhang and Jinbo Bi
    In Advances in Neural Information Processing Systems, 2026
    Accepted at NeurIPS 2026
  2. VEDA: Generation of 3D Molecules via Variance-Exploding Diffusion with Annealing
    Peining Zhang, Jinbo Bi, and Minghu Song
    In Proceedings of the AAAI Conference on Artificial Intelligence, 2026
    Oral
  3. Unraveling the Potential of Diffusion Models in Small Molecule Generation
    Peining Zhang, Daniel Baker, Minghu Song, and Jinbo Bi
    Drug Discovery Today, 2025