2 citations · 2 across the 5 of their papers we have counts for
5 papers
Protocol generalisation for brain tissue microstructure estimation via hypernetwork-controlled geometric deep learning
Andrea Brigliadori, Leevi Kerkela, Hui Zhang
Brain tissue microstructure estimation with machine learning provides higher computational efficiency than conventional fitting. However, machine learning still presents important…
An accurate nucleic acid-small molecule docking framework via geometric deep learning with large-scale pretraining
Shi Li, Xujun Zhang, Mingquan Liu +5
Nucleic acids are increasingly recognized as therapeutic targets beyond conventional protein-centered drug discovery, yet accurate and efficient docking of small molecules to nucle…
Rotation-invariant graph message passing enables acquisition protocol generalisation in learning-based brain microstructure estimation
Leevi Kerkelä, Hui Zhang
Estimating brain microstructure has important applications in medicine and neuroscience. Diffusion-weighted magnetic resonance imaging enables measuring microstructure \textit{in v…
A Scalable and Quantum-Accurate Foundation Model for Biomolecular Force Field via Linearly Tensorized Quadrangle Attention
Qun Su, Kai Zhu, Qiaolin Gou +11
Accurate atomistic biomolecular simulations are vital for disease mechanism understanding, drug discovery, and biomaterial design, but existing simulation methods exhibit significa…
Deep Lead Optimization: Leveraging Generative AI for Structural Modification
Odin Zhang, Haitao Lin, Hui Zhang +7
The idea of using deep-learning-based molecular generation to accelerate discovery of drug candidates has attracted extraordinary attention, and many deep generative models have be…