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 58 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 29 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 206 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.
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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 downloadsmetabolyseR - Methods for Pre-Treatment, Data Mining and Correlation Analyses of Metabolomics Data
A tool kit for pre-treatment, modelling, feature selection and correlation analyses of metabolomics data.
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metabolomics
3.78 score 1 dependents 7 scriptssRm - 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 scriptsbinneR - Spectral Processing for High Resolution Flow Infusion Mass Spectrometry
A spectral binning approach for flow infusion electrospray high resolution mass spectrometry (FIE-HRMS) metabolome fingerprinting data. The methodology for this approach is outlined in Finch et al. (2022) <doi:10.1007/s11306-022-01923-6>.
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massspectrometrymetabolomicsfie-hrmsfingerprintinghigh-resolution-mass-spectrometrymass-spectrometryspectral-binning
3.34 score 4 stars 11 scripts 24 downloadsslurmwiz - 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 scriptsgrover - Web API Framework for Mass Spectrometry Data Transfer
A web based API framework for hosting and interfacing a mass spectrometry raw data data repository. Transfer files, retrieve file information, convert raw mass spectromery data to .mzML format and retrieve sample information from .raw file headers.
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massspectrometrymetabolomics
1.70 score 6 scripts