{
  "_id": "6ae707e71e2c7b3a4f52fb05",
  "Package": "fioRa",
  "Title": "Mass-Spectra Prediction Using the FIORA Model",
  "Version": "0.3.7",
  "Date": "2026-01-22",
  "Authors@R": "person(\"Jan\", \"Lisec\", , \"jan.lisec@bam.de\", role = c(\"aut\", \"cre\"))",
  "Description": "Provides a wrapper for the python module 'FIORA' as well\nas a 'shiny'-App to facilitate data processing and\nvisualization. 'FIORA' allows to predict Mass-Spectra based on\nthe SMILES code of chemical compounds. It is described in the\nNature Communications article by Nowatzky (2025)\n<doi:10.1038/s41467-025-57422-4>.",
  "License": "MIT + file LICENSE",
  "Encoding": "UTF-8",
  "RoxygenNote": "7.3.3",
  "URL": "https://github.com/janlisec/fioRa",
  "BugReports": "https://github.com/janlisec/fioRa/issues",
  "Config/testthat/edition": "3",
  "Language": "en-US",
  "LazyData": "true",
  "NeedsCompilation": "no",
  "Packaged": {
    "Date": "2026-11-01 09:32:01 UTC",
    "User": "root"
  },
  "Author": "Jan Lisec [aut, cre]",
  "Maintainer": "Jan Lisec <jan.lisec@bam.de>",
  "Repository": "https://cran.r-universe.dev",
  "Date/Publication": "2026-01-23 13:00:02 UTC",
  "RemoteUrl": "https://github.com/cran/fioRa",
  "RemoteRef": "HEAD",
  "RemoteSha": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
  "_user": "cran",
  "_type": "src",
  "_file": "fioRa_0.3.7.tar.gz",
  "_fileid": "https://r2.ropensci.org/4740e7e4d76acba44d490f97380279eb059331c32dd6f4b8fe4ba7374e65722b",
  "_filesize": 164172,
  "_sha256": "4740e7e4d76acba44d490f97380279eb059331c32dd6f4b8fe4ba7374e65722b",
  "_expires": "2027-02-09T09:35:33.000Z",
  "_created": "2026-11-01T09:32:01.000Z",
  "_published": "2026-11-01T09:35:35.167Z",
  "_upstream": "https://github.com/cran/fioRa",
  "_status": "success",
  "_maintainer": {
    "name": "Jan Lisec",
    "email": "jan.lisec@bam.de",
    "login": "janlisec",
    "description": "",
    "uuid": 91542594
  },
  "_jobs": [
    {
      "job": 124809634496,
      "time": 155,
      "config": "linux-devel-x86_64",
      "r": "4.7.0",
      "check": "OK",
      "artifact": "13077859864"
    },
    {
      "job": 124809634576,
      "time": 158,
      "config": "linux-release-x86_64",
      "r": "4.6.2",
      "check": "OK",
      "artifact": "13078427084"
    },
    {
      "job": 124808789164,
      "time": 237,
      "config": "source",
      "r": "4.6.1",
      "check": "OK",
      "artifact": "13078751059"
    },
    {
      "job": 124809634694,
      "time": 135,
      "config": "wasm-release",
      "r": "4.6.0",
      "check": "OK",
      "artifact": "13078232237"
    },
    {
      "job": 124809634541,
      "time": 171,
      "config": "windows-devel-x86_64",
      "r": "4.7.0",
      "check": "OK",
      "artifact": "13078930597"
    },
    {
      "job": 124809634518,
      "time": 143,
      "config": "windows-release-x86_64",
      "r": "4.6.2",
      "check": "OK",
      "artifact": "13078156506"
    }
  ],
  "_buildurl": "https://github.com/r-universe/cran/actions/runs/41293253376",
  "_commit": {
    "id": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
    "author": "Jan Lisec <jan.lisec@bam.de>",
    "committer": "cran-robot <csardi.gabor+cran@gmail.com>",
    "message": "version 0.3.7\n",
    "time": 1769173202
  },
  "_distro": "resolute",
  "_host": "GitHub-Actions",
  "_registered": true,
  "_dependencies": [
    {
      "package": "R",
      "version": ">= 3.5",
      "role": "Depends"
    },
    {
      "package": "bslib",
      "role": "Imports"
    },
    {
      "package": "config",
      "role": "Imports"
    },
    {
      "package": "golem",
      "role": "Imports"
    },
    {
      "package": "InterpretMSSpectrum",
      "role": "Imports"
    },
    {
      "package": "rcdk",
      "role": "Imports"
    },
    {
      "package": "shiny",
      "role": "Imports"
    },
    {
      "package": "shinyjs",
      "role": "Imports"
    },
    {
      "package": "waiter",
      "role": "Imports"
    },
    {
      "package": "reticulate",
      "role": "Suggests"
    },
    {
      "package": "S4Vectors",
      "role": "Suggests"
    },
    {
      "package": "Spectra",
      "role": "Suggests"
    },
    {
      "package": "spelling",
      "role": "Suggests"
    },
    {
      "package": "testthat",
      "version": ">= 3.0.0",
      "role": "Suggests"
    },
    {
      "package": "vdiffr",
      "role": "Suggests"
    },
    {
      "package": "withr",
      "role": "Suggests"
    }
  ],
  "_owner": "cran",
  "_selfowned": false,
  "_usedby": 0,
  "_updates": [
    {
      "week": "2025-46",
      "n": 1
    },
    {
      "week": "2026-04",
      "n": 1
    }
  ],
  "_tags": [
    {
      "name": "0.3.4",
      "date": "2025-11-11"
    },
    {
      "name": "0.3.7",
      "date": "2026-01-23"
    }
  ],
  "_stars": 0,
  "_contributors": [
    {
      "user": "janlisec",
      "count": 2,
      "uuid": 91542594
    }
  ],
  "_userbio": {
    "uuid": 6899542,
    "type": "organization",
    "name": "cran",
    "followers": 635,
    "description": "Unofficial read-only mirror of all CRAN R packages"
  },
  "_downloads": {
    "count": 257,
    "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/fioRa"
  },
  "_devurl": "https://github.com/janlisec/fiora",
  "_searchresults": 0,
  "_topics": [
    "openjdk"
  ],
  "_rbuild": "4.6.1",
  "_assets": [
    "extra/citation.cff",
    "extra/citation.html",
    "extra/citation.json",
    "extra/citation.txt",
    "extra/contents.json",
    "extra/fioRa.html",
    "extra/manual.pdf",
    "extra/NEWS.html",
    "extra/NEWS.txt",
    "extra/readme.html",
    "extra/readme.md",
    "LICENSE"
  ],
  "_homeurl": "https://github.com/janlisec/fiora",
  "_realowner": "janlisec",
  "_cranurl": false,
  "_releases": [
    {
      "version": "0.3.4",
      "date": "2025-11-11"
    },
    {
      "version": "0.3.7",
      "date": "2026-01-23"
    }
  ],
  "_exports": [
    "install_fiora",
    "read_fiora",
    "run_app",
    "run_script"
  ],
  "_datasets": [
    {
      "name": "test_data",
      "title": "The example set of test compounds provided with FIORA.",
      "object": "test_data",
      "class": [
        "character"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    }
  ],
  "_help": [
    {
      "page": "install_fiora",
      "title": "Install the python module `fiora` into a conda environment.",
      "topics": [
        "install_fiora"
      ]
    },
    {
      "page": "read_fiora",
      "title": "Read a fiora result file (mgf) into a R object.",
      "topics": [
        "read_fiora"
      ]
    },
    {
      "page": "run_app",
      "title": "Run the Shiny Application.",
      "topics": [
        "run_app"
      ]
    },
    {
      "page": "run_script",
      "title": "Predict MS^2 fragment spectra from SMILES code.",
      "topics": [
        "run_script"
      ]
    },
    {
      "page": "test_data",
      "title": "The example set of test compounds provided with FIORA.",
      "topics": [
        "test_data"
      ]
    }
  ],
  "_readme": "https://github.com/cran/fioRa/raw/HEAD/README.md",
  "_rundeps": [
    "attempt",
    "base64enc",
    "bslib",
    "cachem",
    "cli",
    "codetools",
    "commonmark",
    "config",
    "digest",
    "enviPat",
    "fastmap",
    "fingerprint",
    "fontawesome",
    "fs",
    "glue",
    "golem",
    "htmltools",
    "httpuv",
    "InterpretMSSpectrum",
    "iterators",
    "itertools",
    "jquerylib",
    "jsonlite",
    "later",
    "lifecycle",
    "magrittr",
    "memoise",
    "mime",
    "otel",
    "plyr",
    "png",
    "promises",
    "R6",
    "rappdirs",
    "rcdk",
    "rcdklibs",
    "Rcpp",
    "rJava",
    "rlang",
    "sass",
    "shiny",
    "shinyjs",
    "sourcetools",
    "waiter",
    "withr",
    "xtable",
    "yaml"
  ],
  "_sysdeps": [
    {
      "shlib": "libjvm",
      "package": "openjdk-25-jre-headless",
      "headers": "openjdk-25-jre-headless",
      "source": "openjdk",
      "version": "25.0.4.1+1-1~26.04.4",
      "name": "openjdk",
      "homepage": "https://openjdk.java.net/",
      "description": "OpenJDK Java runtime, using Hotspot JIT (headless)"
    }
  ],
  "_score": 2,
  "_indexed": false,
  "_nocasepkg": "fiora",
  "_universes": [
    "cran"
  ],
  "_indexurl": "https://janlisec.r-universe.dev/fioRa",
  "_binaries": [
    {
      "r": "4.7.0",
      "os": "linux",
      "version": "0.3.7",
      "date": "2026-11-01T09:34:15.000Z",
      "distro": "resolute",
      "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
      "fileid": "https://r2.ropensci.org/78091b2ec371565527a3fbaa375c6be2e431a248362be2962f02d23ea71bd2b9",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/cran/actions/runs/41293253376"
    },
    {
      "r": "4.6.2",
      "os": "linux",
      "version": "0.3.7",
      "date": "2026-11-01T09:34:15.000Z",
      "distro": "resolute",
      "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
      "fileid": "https://r2.ropensci.org/5d31f8d8c963fbf7d40213f89d5d78c92ef97c58ee59b41727e7e54812d5b694",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/cran/actions/runs/41293253376"
    },
    {
      "r": "4.6.0",
      "os": "wasm",
      "version": "0.3.7",
      "date": "2026-11-01T09:34:32.000Z",
      "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
      "fileid": "https://r2.ropensci.org/4f569395e5f95497fcc0849683ef1c359d936b03ce167785a4666b87e0fdfb3a",
      "status": "success",
      "buildurl": "https://github.com/r-universe/cran/actions/runs/41293253376"
    },
    {
      "r": "4.7.0",
      "os": "win",
      "version": "0.3.7",
      "date": "2026-11-01T09:33:38.000Z",
      "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
      "fileid": "https://r2.ropensci.org/ed1b7463d3104edf9ba30c33243b24d81e52bae4605bd2a0001d540baeb7134d",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/cran/actions/runs/41293253376"
    },
    {
      "r": "4.6.2",
      "os": "win",
      "version": "0.3.7",
      "date": "2026-11-01T09:33:23.000Z",
      "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe",
      "fileid": "https://r2.ropensci.org/ddb4f516f6f58f1e4afcca40cc6e25008f3f5cd48d9a0961941d71623d9d8784",
      "status": "success",
      "check": "OK",
      "buildurl": "https://github.com/r-universe/cran/actions/runs/41293253376"
    }
  ]
}