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    WEISS: Wasserstein efficient sampling strategy for LLMs in drug design

    WEISS: Wasserstein efficient sampling strategy for LLMs in drug design by Riccardo Tedoldi, Junyong Li, Ola Engkvist, Andrea Passerini, Annie M Westerlund, Alessandro Tibo

    Published 2025-01-01
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    Multi-objective synthesis planning by means of Monte Carlo Tree search

    Multi-objective synthesis planning by means of Monte Carlo Tree search by Helen Lai, Christos Kannas, Alan Kai Hassen, Emma Granqvist, Annie M. Westerlund, Djork-Arné Clevert, Mike Preuss, Samuel Genheden

    Published 2025-06-01
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