Equivariant diffusion for structure-based de novo ligand generation with latent-conditioning

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Authors: Tuan Le, Julian Cremer, Djork-Arné Clevert, Kristof T. Schütt

Journal title: Journal of Cheminformatics

Journal number: 17

Journal publisher: Chemistry Central

Published year: 2025

DOI identifier: 10.1186/s13321-025-01028-x

ISSN: 1758-2946