Yunchao Liu

15 papers A* 3A 1C 1Journal 10
YearRankTypeTitle / Venue / Authors
2025 J jnl
Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors.
J. Chem. Inf. Model.
Yunchao Liu, Rocco Moretti, Yu Wang, Ha Dong, Bailu Yan, Bobby Bodenheimer, Tyler Derr, Jens Meiler
2025 J jnl
Amplifying Your Social Media Presence: Personalized Influential Content Generation with LLMs.
CoRR
Yuying Zhao, Yu Wang, Xueqi Cheng, Anne M. Tumlin, Yunchao Liu, Damin Xia, Meng Jiang, Tyler Derr
2025 A conf
Edge Classification on Graphs: New Directions in Topological Imbalance.
WSDM
Xueqi Cheng, Yu Wang, Yunchao Liu, Yuying Zhao, Charu C. Aggarwal, Tyler Derr
2025 J jnl
Fairness and Diversity in Recommender Systems: A Survey.
ACM Trans. Intell. Syst. Technol.
Yuying Zhao, Yu Wang, Yunchao Liu, Xueqi Cheng, Charu C. Aggarwal, Tyler Derr
2025 J jnl
Scaffold-Aware Generative Augmentation and Reranking for Enhanced Virtual Screening.
CoRR
Xin Wang, Yu Wang, Yunchao Liu, Jens Meiler, Tyler Derr
2025 J jnl
SuperMetal: a generative AI framework for rapid and precise metal ion location prediction in proteins.
J. Cheminformatics
Xiaobo Lin, Zhaoqian Su, Yunchao Liu, Jingxian Liu, Xiaohan Kuang, Peter T. Cummings, Jesse Spencer-Smith, Jens Meiler
2024 A* conf
A Topological Perspective on Demystifying GNN-Based Link Prediction Performance.
ICLR
Yu Wang, Tong Zhao, Yuying Zhao, Yunchao Liu, Xueqi Cheng, Neil Shah, Tyler Derr
2024 J jnl
Edge Classification on Graphs: New Directions in Topological Imbalance.
CoRR
Xueqi Cheng, Yu Wang, Yunchao Liu, Yuying Zhao, Charu C. Aggarwal, Tyler Derr
2024 J jnl
Machine-learning-based structural analysis of interactions between antibodies and antigens.
Biosyst.
Grace Zhang, Xiaohan Kuang, Yuhao Zhang, Yunchao Liu, Zhaoqian Su, Tom Zhang, Yinghao Wu
2024 A* conf
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking.
NeurIPS
Yunchao Liu, Ha Dong, Xin Wang, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles David Weaver, Jens Meiler, Tyler Derr
2024 J jnl
WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking.
CoRR
Yunchao Liu, Ha Dong, Xin Wang, Rocco Moretti, Yu Wang, Zhaoqian Su, Jiawei Gu, Bobby Bodenheimer, Charles David Weaver, Jens Meiler, Tyler Derr
2023 J jnl
A Topological Perspective on Demystifying GNN-Based Link Prediction Performance.
CoRR
Yu Wang, Tong Zhao, Yuying Zhao, Yunchao Liu, Xueqi Cheng, Neil Shah, Tyler Derr
2023 J jnl
Fairness and Diversity in Recommender Systems: A Survey.
CoRR
Yuying Zhao, Yu Wang, Yunchao Liu, Xueqi Cheng, Charu C. Aggarwal, Tyler Derr
2023 A* conf
Interpretable Chirality-Aware Graph Neural Network for Quantitative Structure Activity Relationship Modeling in Drug Discovery.
AAAI
Yunchao Liu, Yu Wang, Oanh Vu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler, Tyler Derr
2020 C conf
Foldit Drug Design Game Usability Study: Comparison of Citizen and Expert Scientists.
MIG
Yunchao Liu, Rocco Moretti, Bobby Bodenheimer, Jens Meiler