fioRa

0.3.7

Mass-Spectra Prediction Using the FIORA Model

0packages depend

1.7Kdownloads / year

64.6%test coverage

12/13checks pass

Overview

About

Maintained by Jan LisecFirst published 2025-11-112 releasesCRAN page ↗GitHub ↗

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.

Install

R (CRAN)pak (dev)Ubuntu (r2u)

install.packages("fioRa", repos = "https://cloud.r-project.org/")

Installs the current CRAN release. Prebuilt binaries on Windows and macOS.

if (!requireNamespace("pak", quietly = TRUE))
  install.packages("pak", repos = "https://cloud.r-project.org/")
pak::pak("janlisec/fioRa")

Development version from janlisec/fioRa. Installs pak first if it is not already available.

Release

# enable cranapt (r2u) if it is not already set up, then install
grep -rqs r2u.stat.illinois.edu /etc/apt/sources.list /etc/apt/sources.list.d/ \
  || curl -fsSL https://raw.githubusercontent.com/eddelbuettel/r2u/master/inst/scripts/add_cranapt_noble.sh | sudo bash
sudo apt install -y r-cran-fiora

Fast Ubuntu binaries via r2u (no compilation). The cranapt setup runs once and is skipped when it is already enabled.

bspm (used by r2u) also needs make: sudo apt install make

Health

CRAN checks

1ERROR12OK

Failing flavors

ERROR r-oldrel-macos-x86_64

Slowest check: 3.0 min · r-oldrel-macos-x86_64

Code health

Yes

Tests · ratio 0.26

64.6%

Coverage · measured lines

100%

Documentation · exports

Dependencies · direct

Check history

ERROR2026-03-10
10 OK · 0 NOTE · 0 WARNING · 4 ERROR · 0 FAILURE

Documentation

READMEYes · 247 wordsVignettesNopkgdown siteNoNEWSYes · 100% structuredCode of conductNoContributing guideNo

Examples that run: 33%
Documented parameters: 86%
Return-value docs: 100%
References docs: 0%

Downloads

1.7K

CRAN downloads in the past year

Rank #20,594 · ~5/day · ~139/mo

Releases R versions

Daily download trend is not available in this view yet.

20030 days

58890 days

1.7K1 year

Compare downloads with other packages →

Also on52 r2u

Repository

GitHub ↗ janlisec/fiora

2Stars

1Forks

0Open issues

0Open PRs

0Releases

67Commits

1Contributors

67 commits · Last activity 2026-04-14

Stars over time

2025-04-30 · 22026-07-07 · 2

Repository practices

Upstream repositoryBeta

3 development-tooling and community-health practices detected across 3 families in the upstream repository

Checks run against github.com/janlisec/fiora on 2026-07-19.

Continuous integration (1)

GitHub Actions

Docs source (1)

README.Rmd

Lint, format, editor (1)

RStudio project

How this is detected·Detection ruleset v1 (2026-07-18)

Dependencies

Declared dependencies

15 external dependencies (excludes base and recommended)

Depends (1)

R >= 3.5

Imports (8)

bslib config golem InterpretMSSpectrum rcdk shiny shinyjs waiter

LinkingTo (0)

none

Suggests (7)

reticulate S4Vectors Spectra spelling testthat (>= 3.0.0)vdiffr withr

Enhances (0)

none

Dependency license breakdown →

Reverse dependencies

0direct

0indirect

Nothing depends on this yet.

Code & Tests

Datasets

People & History

People (1)

Maintainer (1)

Jan Lisec

Author, Maintainer

Authors (1)

Jan Lisec

Author, Maintainer

Package Timeline

2 releases. Pick two to compare their code metrics. R releases are shown for context.

R
R 4.6.0 released · 2026-04-24
0.3.7Latest
2026-01-23 · current release · diff ↗
0.3.4
2025-11-11
R
R 4.5.0 released · 2025-04-11

Package metadata

First published: 2025-11-11
Total releases: 2 / 1 yrs
License: MIT + file LICENSE OSI
Minimum R: ≥ 3.5
Bundled data: 0.4 KB / 1 file
Download size: 56 KB
Installed size: not tracked yet
With dependencies: not tracked yet

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