fioRa
Mass-Spectra Prediction Using the FIORA Model
Provides a wrapper for the python module 'FIORA' as well as a 'shiny'-App to facilitate data processing and visualization. 'FIORA' allows to predict Mass-Spectra based on the SMILES code of chemical compounds. It is described in the Nature Communications article by Nowatzky (2025) doi:10.1038/s41467-025-57422-4.
- Version0.3.4
- R versionR (≥ 3.5)
- LicenseMIT
- LicenseLICENSE
- Needs compilation?No
- Languageen-US
- Last release11/11/2025
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Jan Lisec
MaintainerShow author details
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