{"id":32200837,"url":"https://github.com/spang-lab/fastret","last_synced_at":"2026-03-04T04:31:36.819Z","repository":{"id":243197361,"uuid":"811722742","full_name":"spang-lab/FastRet","owner":"spang-lab","description":"FastRet is an R package for predicting retention times in liquid chromatography. 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It can be used through the R console or through a graphical user interface (GUI). The package's key features include the ability to\n\n1. Train new predictive models specific for your own chromatography column\n2. Use pre-trained models to predict retention times of molecules\n3. Adjust pre-trained models to accommodate modifications in chromatography columns\n\n## Installation\n\nYou can install the development version of FastRet from [GitHub](https://github.com/) by entering the following commands in an R session:\n\n```R\nif (Sys.which(\"java\")[1] == \"\") stop(\"Please install a Java SDK first.\")\ninstall.packages(\"pak\")\npak::pkg_install(\"spang-lab/FastRet\")\n```\n\nFor further details see [Installation](https://spang-lab.github.io/FastRet/articles/Installation.html).\n\n## Usage\n\nThe easiest way to use FastRet is through its GUI. To start the GUI, [install the package](#installation) and then run the following command in an interactive R terminal:\n\n```R\nFastRet::start_gui()\n```\n\nAfter running the above code, you should see an output like\n\n```\nListening on http://localhost:8080\n```\n\nin 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.\n\n\u003cdiv style=\"display: inline-block;\"\u003e\n\u003cimg src=\"https://raw.githubusercontent.com/spang-lab/FastRet/main/vignettes/GUI-Usage/start-page.png\" alt=\"start-page.png\" width=\"45%\"\u003e\n\u003cimg src=\"https://raw.githubusercontent.com/spang-lab/FastRet/main/vignettes/GUI-Usage/mode-help.png\" alt=\"mode-help.png\" width=\"45%\"\u003e\n\u003c/div\u003e\n\nBy 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](https://spang-lab.github.io/FastRet/articles/GUI-Usage.html).\n\n## Documentation\n\nFastRet's documentation is available at [spang-lab.github.io/FastRet](https://spang-lab.github.io/FastRet/). It includes pages about\n\n- [GUI Usage](https://spang-lab.github.io/FastRet/articles/GUI-Usage.html)\n- [CLI Usage](https://spang-lab.github.io/FastRet/articles/CLI-Usage.html)\n- [Package Internals](https://spang-lab.github.io/FastRet/articles/Package-Internals.html)\n- [Contribution Guidelines](https://spang-lab.github.io/FastRet/articles/Contributing.html)\n- [Function Reference](https://spang-lab.github.io/FastRet/reference/index.html)\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fspang-lab%2Ffastret","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fspang-lab%2Ffastret","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fspang-lab%2Ffastret/lists"}