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- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Thaler, Stephan; Mayr, Felix; Thomas, Siby; Gagliardi, Alessio; Zavadlav, Julija
- Title:
- Active learning graph neural networks for partial charge prediction of metal-organic frameworks via dropout Monte Carlo
- Journal title:
- npj Computational Materials
- Year:
- 2024
- Journal volume:
- 10
- Journal issue:
- 1
- Fulltext / DOI:
- doi:10.1038/s41524-024-01277-8
- Publisher:
- Springer Science and Business Media LLC
- E-ISSN:
- 2057-3960
- Date of publication:
- 03.05.2024
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