Package: fioRa 0.3.7
Jan Lisec
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>.
Authors:
fioRa_0.3.7.tar.gz
fioRa_0.3.7.tar.gz(r-4.7-any)fioRa_0.3.7.tar.gz(r-4.6-any)
fioRa_0.3.7.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
card.svg |card.png
fioRa/json (API)
NEWS
| # Install 'fioRa' in R: |
| install.packages('fioRa', repos = c('https://cran.r-universe.dev', 'https://cloud.r-project.org')) |
Bug tracker:https://github.com/janlisec/fiora/issues
- test_data - The example set of test compounds provided with FIORA.
Last updated from:079ce18dab. Checks:4 OK. Indexed: no.
| Target | Result | Time | Files | Syslog |
|---|---|---|---|---|
| linux-devel-x86_64 | OK | 167 | ||
| source / vignettes | OK | 207 | ||
| linux-release-x86_64 | OK | 169 | ||
| wasm-release | OK | 140 |
Exports:install_fioraread_fiorarun_apprun_script
Dependencies:attemptbase64encbslibcachemclicommonmarkconfigdigestenviPatfastmapfingerprintfontawesomefsgluegolemherehtmltoolshttpuvInterpretMSSpectrumiteratorsitertoolsjquerylibjsonlitelaterlifecyclemagrittrmemoisemimeotelplyrpngpromisesR6rappdirsrcdkrcdklibsRcpprJavarlangrprojrootsassshinyshinyjssourcetoolswaiterwithrxtableyaml
Readme and manuals
Help Manual
| Help page | Topics |
|---|---|
| Install the python module `fiora` into a conda environment. | install_fiora |
| Read a fiora result file (mgf) into a R object. | read_fiora |
| Run the Shiny Application. | run_app |
| Predict MS^2 fragment spectra from SMILES code. | run_script |
| The example set of test compounds provided with FIORA. | test_data |
