PILOT: equivariant diffusion for pocket-conditioned <i>de novo</i> ligand generation with multi-objective guidance <i>via</i> importance sampling

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

Journal title: Chemical Science

Journal number: 15

Journal publisher: Royal Society of Chemistry

Published year: 2024

Published pages: 14954-14967

DOI identifier: 10.1039/d4sc03523b

ISSN: 2041-6520