Liu, Yunchao

4 publications

ICLR 2024 A Topological Perspective on Demystifying GNN-Based Link Prediction Performance Yu Wang, Tong Zhao, Yuying Zhao, Yunchao Liu, Xueqi Cheng, Neil Shah, Tyler Derr

NeurIPS 2024 WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking Yunchao Liu, Ha Dong, Xin Wang, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles David Weaver, Jens Meiler, Tyler Derr

AAAI 2023 Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery Yunchao Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr

ICLR 2019 Learning to Describe Scenes with Programs Yunchao Liu, Zheng Wu, Daniel Ritchie, William T. Freeman, Joshua B. Tenenbaum, Jiajun Wu