Yuanqi Du

Deep learning to segment pelvic bones: large-scale CT datasets and baseline models

Pengbo Liu, Hu Han, Yuanqi Du et al. · International Journal of Computer Assisted Radiology and Surgery · 2021 · 129 citations

Convolutional Neural Network, Baseline Models, Image Analysis +13

Structure-based drug design with equivariant diffusion models

Arne Schneuing, Charles B. Harris, Yuanqi Du et al. · Nature Computational Science · 2024 · 116 citations · Full text

Drug Target, New Drug Candidates, Engineering +17

Machine learning-aided generative molecular design

Yuanqi Du, Arian R. Jamasb, Jeff Guo et al. · Nature Machine Intelligence · 2024 · 112 citations · Full text

Engineering, Molecular Property, Computational Biology +5

A Survey on Graph Structure Learning: Progress and Opportunities

Yanqiao Zhu, Weizhi Xu, Jinghao Zhang et al. · arXiv (Cornell University) · 2021 · 67 citations · Full text

Graph Representation Learning, Machine Learning, Engineering +16

Accurate transition state generation with an object-aware equivariant elementary reaction diffusion model

Chenru Duan, Yuanqi Du, Haojun Jia et al. · Nature Computational Science · 2023 · 64 citations

Engineering, Physics, Natural Sciences +7