Keqiang Yan

DIG: A Turnkey Library for Diving into Graph Deep Learning Research

Meng Liu, Youzhi Luo, Limei Wang et al. · arXiv (Cornell University) · 2021 · 57 citations · Full text

Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems

Xuan Zhang, Limei Wang, Jacob Helwig et al. · arXiv (Cornell University) · 2023 · 53 citations · Full text

Artificial Intelligence, Quantum Science, Electron Density +15

Examining graph neural networks for crystal structures: Limitations and opportunities for capturing periodicity

Sheng Gong, Keqiang Yan, Tian Xie et al. · Science Advances · 2023 · 53 citations · Full text

Artificial Intelligence, Geometric Learning, Engineering +19

JARVIS-Leaderboard: a large scale benchmark of materials design methods

Kamal Choudhary, Daniel Wines, Kangming Li et al. · npj Computational Materials · 2024 · 38 citations · Full text

GraphDF: A Discrete Flow Model for Molecular Graph Generation

Youzhi Luo, Keqiang Yan, Shuiwang Ji · arXiv (Cornell University) · 2021 · 30 citations · Full text

Deep Models, Graph Neural Network, Graph Representation Learning +14