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Diffusion model

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3 results in Keywords: Diffusion model

Theoretical and Computational Chemistry

Inverse Design of Porous Materials: A Diffusion Model Approach

Junkil Park, Aseem Partap Singh Gill, Seyed Mohamad Moosavi, JIHAN KIM

Version 1 posted 18 July 2023

937

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Materials Chemistry

Guided Diffusion for Inverse Molecular Design

Tomer Weiss, Luca Cosmo, Eduardo Mayo Yanes, Sabyasachi Chakraborty, Alex M. Bronstein, Renana Gershoni-Poranne

Version 1 posted 05 April 2023

3,791

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Biological and Medicinal Chemistry

Diff-Shape: A Novel Constrained Diffusion Model for Shape based De Novo Drug Design

Jie Lin, Mingyuan Xu, Hongming Chen

Version 1 posted 30 April 2024

531

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