"Benchmarking molecular conformer augmentation with context-enriched ..."

Cecile Valsecchi et al. (2025)

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DOI: 10.1186/S13321-025-01004-5

access: open

type: Journal Article

metadata version: 2025-06-01

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Cecile Valsecchi, Jose A. Arjona-Medina, Natalia Dyubankova, Ramil I. Nugmanov:
Benchmarking molecular conformer augmentation with context-enriched training: graph-based transformer versus GNN models. J. Cheminformatics 17(1): 80 (2025)

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