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
  • 12/2022: Presented a poster at LoG'22
  • 11/2022: My first-authored paper Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling is accepted at AAAI'23
  • 11/2022: My first-authored extended abstract Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling is accepted at LoG'22
  • 11/2022: Invited to serve as a sub-reviewer for SDM'23
  • 10/2022: Invited to serve as a PC member for GTA3@BigData'22
  • 10/2022: Invited to serve as a reviewer for AI4Science@NeurIPS'22
  • 9/2022: Invited to serve as a PC member for MLoG@ICDM'22
  • 9/2022: Invited to serve as a reviewer for Big Data Research journel
  • 9/2022: Invited to serve as a meta-reviewer for AAAI'23
  • 9/2022: Invited to serve as a reviewer for WSDM'23
  • 8/2022: Our work MolKGNN is available online! See bioRxiv and blog versions
  • 8/2022: Presented a poster at the Summer RosettaCon2022
  • 7/2022: Served as a volunteer for AI4Science@ICML'22
  • 6/2022: Received reviewer award of AI4Science@ICML'22
  • 6/2022: Invited to serve as a sub-reviewer for NeurIPS'22
  • 5/2022: Invited to serve as a reviewer for AI4Science@ICML'22
  • 4/2022: Volunteered at ICLR'22
  • 3/2022: Awarded Nvidia Hardware Grant with RTX A6000 48GB GPU
  • 2/2022: Served as the session manager for GMSL@WSDM'22
  • 2/2022: Invited to serve as a reviewer for DGM4HSD@ICLR'22
  • 1/2022: Posted first technical blog
  • 1/2022: Invited to serve as a sub-reviewer for MLoG@WSDM'22
  • 12/2021: Passed the Computer Science PhD Qualifying Exam
  • 11/2021: Invited to serve as a sub-reviewer for TheWebConf'22
  • 10/2021: Invited to serve as a sub-reviewer for ICLR'22
  • 9/2021: Invited to serve as a reviewer for AI4Science@NeurIPS'21
  • 8/2021: Invited to serve as a sub-reviewer for WSDM'22
  • 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 | AAAI'23

    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