computational-metabolomics
by computational-metabolomics (Organization)
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Packages
| Name | Latest Version | Summary | Updated | License |
|---|
| amimspy | 0.1.0 | Python package for processing acoustic mist ionization mass spectrometry-based metabolomics and lipidomics data | Mar 25, 2025 | GNU General Public v3 (GPLv3) |
| beams | 0.1.5 | BEAMS - Birmingham mEtabolite Annotation for Mass SpectroMetry | Mar 25, 2025 | GNU General Public v3 (GPLv3) |
| beamspy | 1.1.0 | BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python package) | Mar 25, 2025 | GNU General Public v3 (GPLv3) |
| bioconductor-mspurity | 1.9.8 | — | Mar 25, 2025 | GPL (>= 2) |
| bioconductor-pmp | 1.3.2 | Peak Matrix Processing and signal batch correction for metabolomics datasets | Mar 25, 2025 | GPL-3 |
| bioconductor-sbcms | 0.99.2 | Signal and Batch Correction for Mass Spectrometry (SBCMS). | Mar 25, 2025 | GPL (>= 2) |
| bioconductor-struct | 1.3.1 | Statistics in R Using Class-based Templates | Mar 25, 2025 | GPL-3 |
| bioconductor-structtoolbox | 1.3.1 | Extends the class templates provided by the struct package to provide methods for training PCA, PLS models with cross-validation, permutation testing etc. | Mar 25, 2025 | GPL (>= 2) |
| dimspy | 1.3.0 | — | Mar 25, 2025 | GPL-3 |
| msnpy | 1.0.0a9 | Python package for data processing and annotation of MSn-based metabolomics and lipidomics data | Mar 25, 2025 | GNU General Public v3 (GPLv3) |
| msp2db | 0.0.5 | 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, | Mar 25, 2025 | GNU General Public v3 (GPLv3) |
| pythonnet | 2.4.0 | .Net and Mono integration for Python | Mar 25, 2025 | MIT License |
| r-xlsxbuilder | 0.1.4 | Easily formatted excel outputs. | May 8, 2025 | GPL (>= 2) |
| ri | 3.6 | RI is a general purpose algorithm for one-to-one exact subgraph isomorphism problem maintaining topological constraints. | Mar 25, 2025 | MIT |