Yunchao (Lance) Liu (刘运超)
Yunchao, nicknamed Lance, is currently a PhD candidate in the Meiler lab and NDS lab where he is advised by Dr. Jens Meiler and Dr. Tyler Derr. His research aims at developing novel state-of-the-art deep learning models that are specifically designed for drug discovery applications.
AI for Drug Discovery
Topological/Geometric Deep Learning
Generative Models
Self-Supervised Learning
Small Molecule/Proteins
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.
Received bachelor degree in management from Beijing University of Posts and Telecommunications.
Publications
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking
Authors: Yunchao (Lance) Liu*, Ha Dong*, Xin Wang*, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles David Weaver, Jens Meiler, Tyler Derr
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery
Authors: Yunchao (Lance) Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr
Integrating Expert Knowledge with Deep Learning Improves QSAR Models for CADD Modeling
Authors: Yunchao (Lance) Liu, Rocco Moretti, Yu Wang, Bobby Bodenheimer, Tyler Derr, Jens Meiler
Talks
Photos
