classyfireR - R Interface to the 'ClassyFire' REST API
Access to the 'ClassyFire' REST API <http://classyfire.wishartlab.com>. Retrieve existing entity classifications and submit new entities for classification.
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chemontclassifiationdatabaseinchi-keymetabolomicsontology
5.12 score 15 stars 44 scripts 29 downloadsclassyfireR - R Interface to the 'ClassyFire' REST API
Access to the 'ClassyFire' REST API <http://classyfire.wishartlab.com>. Retrieve existing entity classifications and submit new entities for classification.
Last updated
chemontclassifiationdatabaseinchi-keymetabolomicsontology
5.12 score 15 stars 44 scripts 58 downloadsforestControl - Approximate False Positive Rate Control in Selection Frequency for Random Forest
Approximate false positive rate control in selection frequency for random forest using the methods described by Ender Konukoglu and Melanie Ganz (2014) <arXiv:1410.2838>. Methods for calculating the selection frequency threshold at false positive rates and selection frequency false positive rate feature selection.
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randomforestcpp
5.08 score 2 stars 2 dependents 10 scripts 249 downloadsforestControl - Approximate False Positive Rate Control in Selection Frequency for Random Forest
Approximate false positive rate control in selection frequency for random forest using the methods described by Ender Konukoglu and Melanie Ganz (2014) <arXiv:1410.2838>. Methods for calculating the selection frequency threshold at false positive rates and selection frequency false positive rate feature selection.
Last updated
randomforestcpp
4.08 score 2 stars 2 dependents 10 scripts 272 downloadsmetabolighteR - Interface to the 'Metabolights' REST API
Access to the 'Metabolights' REST API <https://www.ebi.ac.uk/metabolights/index>. Retrieve elements of publicly available 'Metabolights' studies.
Last updated
repositorydatametabolomicsmassspectrometrydatametabolightsmetabolights-studiesopen-datarest-api
4.04 score 11 stars 20 scripts 8 downloadsmsconverteR - Convert vendor specific mass spectrometry files to mzML
Use the pwiz docker container to convert vendor specific mass spectrometry files to .mzML from within the R console on Linux systems.
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dockermass-spectrometrymzmlpwiz
4.03 score 12 stars 1 dependents 6 scriptsmetabolighteR - Interface to the 'Metabolights' REST API
Access to the 'Metabolights' REST API <https://www.ebi.ac.uk/metabolights/index>. Retrieve elements of publicly available 'Metabolights' studies.
Last updated
repositorydatametabolomicsmassspectrometrydatametabolightsmetabolights-studiesopen-datarest-api
4.00 score 11 stars 18 scripts 8 downloadssRm - Toolkit for SRM-MS data (MS) data
A complete toolkit for working with Selective Reaction Monitoring (SRM) Mass Spectrometry (MS) data and other variants of targeted Liquid Chromatography (LC) MS data.
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lcmsmass-spectrometrymetabolomicsquantificationsrm-mstriple-quadrupole
3.35 score 3 stars 75 scriptsslurmwiz - Convert Raw Mass Spectrometry Files
Wrapper for converting raw mass spectrometry data files using the pwiz docker container through apptainer on a high performance computer (HPC) cluster running SLRUM workload manager.
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mass-spectrometrymsconvertmzmlsingularityslurmslurm-workload-manager
2.40 score 2 scriptsgaml2r - Parse GAML Files
Open and parse data from a Generalized Analytical Markup Language (GAML) files.
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gamlhplcxml
2.30 score 1 stars 1 scriptsq3ML - Open and Parse SRM mzML Files from Thermo Triple Quadrupole Instruments
Parses selective reaction monitoring (SRM) mzML chromatograms exported from Thermo triple quadrupole instruments. The package is intended as a fallback for newer ProteoWizard-generated mzML files where chromatogram data cannot be decoded through 'mzR', while preserving output structures that are easy to compare with 'mzR' headers and chromatograms.
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mass-spectrometrymrm-msmzmlmzrsrm-msxml2
2.18 score 3 scriptsmzrust - Low-Level mzML Access via Rust
Experimental low-level access to mzML files from R using the Rust mzdata crate.
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mass-spectrometrymzmlrustcargo
2.18 score 2 scriptsmicturate - Tools for urine samples
Simple tools for helping with various aspects of urinary analysis.
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urine
2.18 score 1 scriptsGetSampleInfo - Extract Sample Information from Thermo .RAW files
R wrapper for the Thermo C# RawFileReader.
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mass-spectrometrythermofisher
2.00 score 6 scripts