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computational-metabolomics / packages

Package Name Access Summary Updated
r-xlsxbuilder public Easily formatted excel outputs. 2023-08-04
amimspy public Python package for processing acoustic mist ionization mass spectrometry-based metabolomics and lipidomics data 2023-06-16
ri public RI is a general purpose algorithm for one-to-one exact subgraph isomorphism problem maintaining topological constraints. 2023-06-16
beamspy public BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python package) 2023-06-16
bioconductor-sbcms public Signal and Batch Correction for Mass Spectrometry (SBCMS). 2023-06-16
msnpy public Python package for data processing and annotation of MSn-based metabolomics and lipidomics data 2023-06-16
bioconductor-structtoolbox public Extends the class templates provided by the struct package to provide methods for training PCA, PLS models with cross-validation, permutation testing etc. 2023-06-16
bioconductor-pmp public Peak Matrix Processing and signal batch correction for metabolomics datasets 2023-06-16
bioconductor-struct public Statistics in R Using Class-based Templates 2023-06-16
beams public BEAMS - Birmingham mEtabolite Annotation for Mass SpectroMetry 2023-06-16
bioconductor-mspurity public No Summary 2023-06-16
pythonnet public .Net and Mono integration for Python 2023-06-16
msp2db public Python package to create an SQLite database from a collection of MSP mass spectromertry spectra files. Currently works with MSP files formated as MassBank records or as MoNA records. The resulting SQLite database can be used for spectral matching with msPurity Bioconductor R package, 2023-06-16
dimspy public No Summary 2023-06-16

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