Benchmarking molecular conformer augmentation with context-enriched training: graph-based transformer versus GNN models
Crossref DOI link: https://doi.org/10.1186/s13321-025-01004-5
Published Online: 2025-05-22
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Valsecchi, Cecile
Arjona-Medina, Jose A.
Dyubankova, Natalia
Nugmanov, Ramil
Text and Data Mining valid from 2025-05-22
Version of Record valid from 2025-05-22
Article History
Received: 28 October 2024
Accepted: 30 March 2025
First Online: 22 May 2025