{ "_id": "6a11641aacfb0bcc41cef6e3", "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.", "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": "2026-05-23 08:20:33 UTC", "User": "root" }, "Author": "Jan Lisec [aut, cre]", "Maintainer": "Jan Lisec ", "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", "MD5sum": "6df7af13db140f42e078c716055dc4d9", "_user": "cran", "_type": "src", "_file": "fioRa_0.3.7.tar.gz", "_fileid": "733e772e96ac052446ed6bda5e19e198eaae2f27d88cd923e60e684b96994f31", "_filesize": 164432, "_sha256": "733e772e96ac052446ed6bda5e19e198eaae2f27d88cd923e60e684b96994f31", "_created": "2026-05-23T08:20:33.000Z", "_published": "2026-05-23T08:23:54.296Z", "_distro": "noble", "_jobs": [ { "job": 77508996844, "time": 167, "config": "linux-devel-x86_64", "r": "4.7.0", "check": "OK", "artifact": "7175607977" }, { "job": 77508996848, "time": 169, "config": "linux-release-x86_64", "r": "4.6.0", "check": "OK", "artifact": "7175608057" }, { "job": 77508814342, "time": 207, "config": "source", "r": "4.6.0", "check": "OK", "artifact": "7175593009" }, { "job": 77508996839, "time": 140, "config": "wasm-release", "r": "4.6.0", "check": "OK", "artifact": "7175605564" } ], "_buildurl": "https://github.com/r-universe/cran/actions/runs/26327892946", "_status": "success", "_host": "GitHub-Actions", "_upstream": "https://github.com/cran/fioRa", "_commit": { "id": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe", "author": "Jan Lisec ", "committer": "cran-robot ", "message": "version 0.3.7\n", "time": 1769173202 }, "_maintainer": { "name": "Jan Lisec", "email": "jan.lisec@bam.de", "login": "janlisec", "description": "", "uuid": 91542594 }, "_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", "description": "Unofficial read-only mirror of all CRAN R packages" }, "_downloads": { "count": 174, "source": "https://cranlogs.r-pkg.org/downloads/total/last-month/fioRa" }, "_devurl": "https://github.com/janlisec/fiora", "_searchresults": 0, "_topics": [ "openjdk" ], "_rbuild": "4.6.0", "_assets": [ "extra/citation.cff", "extra/citation.html", "extra/citation.json", "extra/citation.txt", "extra/contents.json", "extra/fioRa.html", "extra/NEWS.html", "extra/NEWS.txt", "extra/readme.html", "extra/readme.md", "manual.pdf" ], "_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", "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" ], "_sysdeps": [ { "shlib": "libjvm", "package": "openjdk-21-jre-headless", "headers": "openjdk-21-jre-headless", "source": "openjdk", "version": "21.0.10+7-1~24.04", "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": "2026-05-23T08:23:03.000Z", "distro": "noble", "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe", "fileid": "1aadce0a3192723212d43ff66efa14b37dd2952dc078bd32a10b5011bdbb4856", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/26327892946" }, { "r": "4.6.0", "os": "linux", "version": "0.3.7", "date": "2026-05-23T08:23:02.000Z", "distro": "noble", "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe", "fileid": "9c9cc19fc8b394526d450fe1815664088fde4150f800e07e52a4dc14be7f1d3a", "status": "success", "check": "OK", "buildurl": "https://github.com/r-universe/cran/actions/runs/26327892946" }, { "r": "4.6.0", "os": "wasm", "version": "0.3.7", "date": "2026-05-23T08:23:14.000Z", "commit": "079ce18dab43e8d3f26add2d6fe33d87f2305fbe", "fileid": "acb8fb4e3a10fce91f9e8af567d7813b85fa704a22d0ac98817571a6455f8ff9", "status": "success", "buildurl": "https://github.com/r-universe/cran/actions/runs/26327892946" } ] }