Author

Haitao Lin

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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