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KRONOS: Autoregressive latent diffusion for 3D molecule generation

Researchers introduce KRONOS, a latent autoregressive diffusion framework for 3D molecule generation that operates in the latent space of a pre-trained autoencoder. It addresses the limitation of diffusion models requiring molecular size a priori, supporting variable-length generation and context conditioning.

0 engagement·1 source·Fri, Jul 10, 2026, 10:47 AM
The paper presents KRONOS, which combines autoregressive and diffusion approaches to generate 3D molecules in latent space. This allows variable-length generation and conditioning on partial molecular context, overcoming a key limitation of prior diffusion models that required specifying molecular size beforehand. The framework uses a pre-trained autoencoder to map molecules to a latent space, where autoregressive diffusion generates new molecules.

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KRONOS(model)autoregressive latent diffusion(concept)

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