Author

Qi-Wei Ye

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#machine learning Preprint Oct 2026

OctMole: Multiscale 3D Molecular Generation with Hierarchical Spatial Flows

Generating accurate 3D molecules requires jointly determining a variable number of atoms, their identities, and geometry across spatial scales: global shape emerges coarsely, whereas chemical bonds demand fine local precision. Existing atom-based diffusion and flow models operate largely at a single scale, while dense...

Yu Jin, Y. Tian, Qi-Wei Ye et al. · 0 citations

#machine learning Preprint Oct 2026

Learning from Hetero Density for Cryo-EM Protein Reconstruction

Reconstructing protein structures from cryo-electron microscopy (cryo-EM) maps is essential for understanding macromolecular assemblies. Although learning-based methods have improved protein reconstruction, information from hetero components remains underused. Our analysis finds both false predictions and reference pro...

Xu Han, Chao-Zhuo Li, Xiao-Wei Yuan et al. · 0 citations