Package: fioRa 0.3.16

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:Jan Lisec [aut, cre]

fioRa_0.3.16.tar.gz
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fioRa_0.3.16.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://janlisec.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/janlisec/fiora/issues

Uses libs:

openjdk– OpenJDK Java runtime, using Hotspot JIT

Datasets:

test_data - The example set of test compounds provided with FIORA.

On CRAN:

openjdk

4.11 score 2 stars 158 downloads 5 exports 48 dependencies

Last updated from:da7321e276. Checks:9 OK. Indexed: yes.

Target	Result	Time
linux-devel-x86_64	OK	188
source / vignettes	OK	197
linux-release-x86_64	OK	180
macos-release-arm64	OK	110
macos-oldrel-arm64	OK	113
windows-devel	OK	206
windows-release	OK	163
windows-oldrel	OK	181
wasm-release	OK	133

Exports:install_fiora plot_spec read_fiora run_app run_script

Dependencies:attempt base64enc bslib cachem cli commonmark config digest enviPat fastmap fingerprint fontawesome fs glue golem here htmltools httpuv InterpretMSSpectrum iterators itertools jquerylib jsonlite later lifecycle magrittr memoise mime otel plyr png promises R6 rappdirs rcdk rcdklibs Rcpp rJava rlang rprojroot sass shiny shinyjs sourcetools waiter withr xtable yaml

Citation

Development and contributors

Readme and manuals

Help Manual

Help page	Topics
Install the python module `fiora` into a conda environment.	install_fiora
Plot MS^2 spectrum.	plot_spec
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