CS PhD Candidate @ Vanderbilt University

Yunchao "Lance" Liu (刘运超)

Short Bio

Yunchao, nicknamed Lance, is currently a PhD candidate in the Meiler lab and NDS lab where he is advised by Dr. Jens Meiler, Dr. Tyler Derr, and Dr. Bobby Bodenheimer. His research aims at developing novel state-of-the-art deep learning models that are specifically designed for small molecule drug discovery applications.

Curriculum Vitae
Research Interests

Geometric Deep Learning
Self-Supervised Learning
Generative Models
Active Learning
Molecular Representation Learning
Computer-Aided Drug Discovery

News
  • 9/2022: Invited to serve as meta-reviewer for AAAI23
  • 9/2022: Invited to serve as reviewer for WSDM23
  • 8/2022: Our work MolKGNN is available online! See bioarxiv and blog versions.
  • 8/2022: Presented a poster at the RosettaCon2022
  • 7/2022: Served as the volunteer for ICML-AI4Science2022
  • 6/2022: Received reviewer award of ICML-AI4Science2022
  • 6/2022: Invited to serve as sub-reviewer for NeurIPS2022
  • 5/2022: Invited to serve as reviewer for ICML-AI4Science2022
  • 4/2022: Volunteered at ICLR 2022
  • 3/2022: Awarded Nvidia Hardware Grant with RTX A6000 48GB GPU
  • 2/2022: Served as the session manager for a tutorial @WSDM22
  • 2/2022: Invited to serve as reviewer for ICLR2022-DGM4HSD
  • 1/2022: Posted first technical blog
  • 1/2022: Invited to serve as sub-reviewer for WSDM2022-MLoG
  • 12/2021: Passed the Computer Science PhD Qualifying Exam
  • 11/2021: Invited to serve as sub-reviewer for TheWebConf2022
  • 10/2021: Invited to serve as sub-reviewer for ICLR2022
  • 9/2021: Invited to serve as reviewer for NeurIPS-AI4Science2021
  • 8/2021: Invited to serve as sub-reviewer for WSDM2022
  • Education

    Currently pursuing PhD degree in Computer Science at Vanderbilt University. Research lies in developing advanced AI technologies in computer aided drug discovery.

    Received master degree in Computer Science, Intelligent System Track, from University of Texas at Dallas.

    Publications

    Molecular Kernel Graph Neural Network (MolKGNN)
    August, 2022 | bioarxiv

    Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery

    Authors: Yunchao Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr

    Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists
    October, 2020 | MIG '20

    Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists



    Authors: Yunchao Liu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler

    Contact

    5154G Medical Research Building III