"Graph neural processes for molecules: an evaluation on docking scores and ..."

Miguel García-Ortegón et al. (2024)

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DOI: 10.1186/S13321-024-00904-2

access: open

type: Journal Article

metadata version: 2024-10-29

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Miguel García-Ortegón, Srijit Seal, Carl Rasmussen, Andreas Bender, Sergio Bacallado:
Graph neural processes for molecules: an evaluation on docking scores and strategies to improve generalization. J. Cheminformatics 16(1): 115 (2024)

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