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fastret

FastRet is an R package for predicting retention times in liquid chromatography. It can be used through the R console or through a graphical user interface.

https://github.com/spang-lab/fastret

Science Score: 26.0%

This score indicates how likely this project is to be science-related based on various indicators:

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    CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
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    DOI references
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    Scientific vocabulary similarity
    Low similarity (17.6%) to scientific vocabulary

Keywords

data-science lcms
Last synced: 6 months ago · JSON representation

Repository

FastRet is an R package for predicting retention times in liquid chromatography. It can be used through the R console or through a graphical user interface.

Basic Info
Statistics
  • Stars: 2
  • Watchers: 1
  • Forks: 0
  • Open Issues: 0
  • Releases: 1
Topics
data-science lcms
Created over 1 year ago · Last pushed 8 months ago
Metadata Files
Readme Changelog

README.md

R CMD check Codecov test coverage CRAN Status Badge CRAN Downloads Badge <!-- badges: end -->

FastRet

FastRet is an R package for predicting retention times in liquid chromatography. It can be used through the R console or through a graphical user interface (GUI). The package's key features include the ability to

  1. Train new predictive models specific for your own chromatography column
  2. Use pre-trained models to predict retention times of molecules
  3. Adjust pre-trained models to accommodate modifications in chromatography columns

Installation

You can install the development version of FastRet from GitHub by entering the following commands in an R session:

R if (Sys.which("java")[1] == "") stop("Please install a Java SDK first.") install.packages("pak") pak::pkg_install("spang-lab/FastRet")

For further details see Installation.

Usage

The easiest way to use FastRet is through its GUI. To start the GUI, install the package and then run the following command in an interactive R terminal:

R FastRet::start_gui()

After running the above code, you should see an output like

Listening on http://localhost:8080

in your R console. This means that the GUI is now running and you can access it via the URL http://localhost:8080 in your browser. If your terminal supports it, you can also just click on the displayed link.

start-page.png mode-help.png

By default, the GUI opens in Mode Train new Model. To apply or adjust pretrained models, select mode Predict Retention Time or Adjust existing Model instead. For more information about the individual modes and the various input fields, click on the little question mark symbols next to the different input fields or have a look at the documentation page for GUI Usage.

Documentation

FastRet's documentation is available at spang-lab.github.io/FastRet. It includes pages about

Owner

  • Name: The Spang Lab
  • Login: spang-lab
  • Kind: organization
  • Location: Regensburg, Germany

Statistical Bioinformatics Department, University of Regensburg, Germany

GitHub Events

Total
  • Watch event: 1
  • Delete event: 1
  • Push event: 10
  • Pull request event: 1
  • Create event: 4
Last Year
  • Watch event: 1
  • Delete event: 1
  • Push event: 10
  • Pull request event: 1
  • Create event: 4

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 0
  • Total pull requests: 5
  • Average time to close issues: N/A
  • Average time to close pull requests: 5 days
  • Total issue authors: 0
  • Total pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 4
  • Bot issues: 0
  • Bot pull requests: 0
Past Year
  • Issues: 0
  • Pull requests: 2
  • Average time to close issues: N/A
  • Average time to close pull requests: 17 days
  • Issue authors: 0
  • Pull request authors: 1
  • Average comments per issue: 0
  • Average comments per pull request: 0.0
  • Merged pull requests: 1
  • Bot issues: 0
  • Bot pull requests: 0
View more stats
Top Authors
Issue Authors
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  • toscm (8)
Top Labels
Issue Labels
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Packages

  • Total packages: 1
  • Total downloads:
    • cran 225 last-month
  • Total dependent packages: 0
  • Total dependent repositories: 0
  • Total versions: 2
  • Total maintainers: 1
cran.r-project.org: FastRet

Retention Time Prediction in Liquid Chromatography

  • Versions: 2
  • Dependent Packages: 0
  • Dependent Repositories: 0
  • Downloads: 225 Last month
Rankings
Dependent packages count: 28.7%
Dependent repos count: 35.3%
Average: 50.2%
Downloads: 86.5%
Maintainers (1)
tobias.schmidt331@gmail.com
Last synced: 6 months ago

Dependencies

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DESCRIPTION cran
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