Author

Weibo Zhao

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#computer vision Oct 2025

ECloudGen: leveraging electron clouds as a latent variable to scale up structure-based molecular design

This study presents ECloudGen, which uses latent diffusion to generate electron clouds from protein pockets and decodes them into molecules, and adopts two-stage training, which expands the chemical space accessible to generative drug design.

Odin Zhang, Jieyu Jin, Zhenxing Wu et al. · Nature Computational Science · 4 citations

Open access Aug 2026

NACraft: Programmatic nucleic-acid aptamer design via all-atom structure-model feedback

NACraft, a training-free and programmatic framework for all-atom nucleic-acid aptamer design based on backpropagation through structure-model feedback, is presented, demonstrating the effectiveness and versatility of NACraft and extending structure-model hallucination toward programmatic nucleic-acid aptamer design.

He-Qin Zhu, Jiaqi Wang, Wei-Bo Zhao et al. · bioRxiv · 0 citations