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# CITATION file created with {cffr} R package
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cff-version: 1.2.0
message: 'To cite package "fioRa" in publications use:'
type: software
license: MIT
title: 'fioRa: Mass-Spectra Prediction Using the FIORA Model'
version: 0.3.7
doi: 10.32614/CRAN.package.fioRa
abstract: 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) <https://doi.org/10.1038/s41467-025-57422-4>.
authors:
- family-names: Lisec
  given-names: Jan
  email: jan.lisec@bam.de
repository: https://cran.r-universe.dev
repository-code: https://github.com/janlisec/fioRa
commit: 079ce18dab43e8d3f26add2d6fe33d87f2305fbe
url: https://github.com/janlisec/fioRa
date-released: '2026-01-22'
contact:
- family-names: Lisec
  given-names: Jan
  email: jan.lisec@bam.de