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>.
| Version: |
0.3.7 |
| Depends: |
R (≥ 3.5) |
| Imports: |
bslib, config, golem, InterpretMSSpectrum, rcdk, shiny, shinyjs, waiter |
| Suggests: |
reticulate, S4Vectors, Spectra, spelling, testthat (≥
3.0.0), vdiffr, withr |
| Published: |
2026-01-23 |
| DOI: |
10.32614/CRAN.package.fioRa |
| Author: |
Jan Lisec [aut, cre] |
| Maintainer: |
Jan Lisec <jan.lisec at bam.de> |
| BugReports: |
https://github.com/janlisec/fioRa/issues |
| License: |
MIT + file LICENSE |
| URL: |
https://github.com/janlisec/fioRa |
| NeedsCompilation: |
no |
| Language: |
en-US |
| Materials: |
README, NEWS |
| CRAN checks: |
fioRa results |
Documentation:
Downloads:
Linking:
Please use the canonical form
https://CRAN.R-project.org/package=fioRa
to link to this page.