Computational Scientist @ Broad Institute of MIT and Harvard

Yunchao (Lance) Liu (刘运超)

Short Bio

Dr. Yunchao (Lance) Liu, is currently a Computational Scientist at the Broad Institute of MIT and Harvard. His research aims at developing novel state-of-the-art geometric deep learning models for understanding genomics.
He received his PhD from the Vanderbilt University, where he ws advised by Dr. Jens Meiler and Dr. Tyler Derr. His Ph.D research focused on the development of AI models for drug discovery applications.

Curriculum Vitae
Research Interests

Topological/Geometric Deep Learning
Generative Models
Genomics/Small Molecule/Proteins

News

Education

Received PhD degree in Computer Science from Vanderbilt University. Research focused on developing advanced AI technologies for computer aided drug discovery.

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

Publications

Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors
May, 2025 | JCIM

Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors


Authors: Yunchao (Lance) Liu, Rocco Moretti, Yu Wang, Bobby Bodenheimer, Tyler Derr, Jens Meiler

www.WelQrate.org
Dec, 2024 | NeurIPS '24

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

Molecular Kernel Graph Neural Network (MolKGNN)
June, 2023 | AAAI'23

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

Talks

More Talks

Contact

liuyunchao[at]broadinstitute[dot]org