Showing 17 of total 17 results (show query)
bioc
Spectra:Spectra Infrastructure for Mass Spectrometry Data
The Spectra package defines an efficient infrastructure for storing and handling mass spectrometry spectra and functionality to subset, process, visualize and compare spectra data. It provides different implementations (backends) to store mass spectrometry data. These comprise backends tuned for fast data access and processing and backends for very large data sets ensuring a small memory footprint.
Maintained by RforMassSpectrometry Package Maintainer. Last updated 23 days ago.
infrastructureproteomicsmassspectrometrymetabolomicsbioconductorhacktoberfestmass-spectrometry
41 stars 13.01 score 254 scripts 35 dependentsbioc
mzR:parser for netCDF, mzXML and mzML and mzIdentML files (mass spectrometry data)
mzR provides a unified API to the common file formats and parsers available for mass spectrometry data. It comes with a subset of the proteowizard library for mzXML, mzML and mzIdentML. The netCDF reading code has previously been used in XCMS.
Maintained by Steffen Neumann. Last updated 2 months ago.
immunooncologyinfrastructuredataimportproteomicsmetabolomicsmassspectrometryzlibcpp
45 stars 12.77 score 204 scripts 44 dependentsbioc
MSnbase:Base Functions and Classes for Mass Spectrometry and Proteomics
MSnbase provides infrastructure for manipulation, processing and visualisation of mass spectrometry and proteomics data, ranging from raw to quantitative and annotated data.
Maintained by Laurent Gatto. Last updated 16 days ago.
immunooncologyinfrastructureproteomicsmassspectrometryqualitycontroldataimportbioconductorbioinformaticsmass-spectrometryproteomics-datavisualisationcpp
131 stars 12.76 score 772 scripts 36 dependents
hwborchers
pracma:Practical Numerical Math Functions
Provides a large number of functions from numerical analysis and linear algebra, numerical optimization, differential equations, time series, plus some well-known special mathematical functions. Uses 'MATLAB' function names where appropriate to simplify porting.
Maintained by Hans W. Borchers. Last updated 1 years ago.
29 stars 12.34 score 6.6k scripts 931 dependents
jabiru
tictoc:Functions for Timing R Scripts, as Well as Implementations of "Stack" and "StackList" Structures
Code execution timing functions 'tic' and 'toc' that can be nested. One can record all timings while a complex script is running, and examine the values later. It is also possible to instrument the timing calls with custom callbacks. In addition, this package provides class 'Stack', implemented as a vector, and class 'StackList', which is a stack implemented as a list, both of which support operations 'push', 'pop', 'first_element', 'last_element' and 'clear'.
Maintained by Sergei Izrailev. Last updated 12 months ago.
9 stars 10.45 score 12k scripts 47 dependents
laresbernardo
lares:Analytics & Machine Learning Sidekick
Auxiliary package for better/faster analytics, visualization, data mining, and machine learning tasks. With a wide variety of family functions, like Machine Learning, Data Wrangling, Marketing Mix Modeling (Robyn), Exploratory, API, and Scrapper, it helps the analyst or data scientist to get quick and robust results, without the need of repetitive coding or advanced R programming skills.
Maintained by Bernardo Lares. Last updated 1 months ago.
analyticsapiautomationautomldata-sciencedescriptive-statisticsh2omachine-learningmarketingmmmpredictive-modelingpuzzlerlanguagerobynvisualization
233 stars 9.92 score 185 scripts 1 dependents
andrewhooker
PopED:Population (and Individual) Optimal Experimental Design
Optimal experimental designs for both population and individual studies based on nonlinear mixed-effect models. Often this is based on a computation of the Fisher Information Matrix. This package was developed for pharmacometric problems, and examples and predefined models are available for these types of systems. The methods are described in Nyberg et al. (2012) <doi:10.1016/j.cmpb.2012.05.005>, and Foracchia et al. (2004) <doi:10.1016/S0169-2607(03)00073-7>.
Maintained by Andrew C. Hooker. Last updated 6 months ago.
nlmeoptimal-designpharmacodynamicspharmacokineticspharmacometricspkpdpopulationpopulation-model
33 stars 9.58 score 300 scripts 1 dependentsbioc
ProtGenerics:Generic infrastructure for Bioconductor mass spectrometry packages
S4 generic functions and classes needed by Bioconductor proteomics packages.
Maintained by Laurent Gatto. Last updated 2 months ago.
infrastructureproteomicsmassspectrometrybioconductormass-spectrometrymetabolomics
8 stars 9.36 score 4 scripts 188 dependentsbioc
CompoundDb:Creating and Using (Chemical) Compound Annotation Databases
CompoundDb provides functionality to create and use (chemical) compound annotation databases from a variety of different sources such as LipidMaps, HMDB, ChEBI or MassBank. The database format allows to store in addition MS/MS spectra along with compound information. The package provides also a backend for Bioconductor's Spectra package and allows thus to match experimetal MS/MS spectra against MS/MS spectra in the database. Databases can be stored in SQLite format and are thus portable.
Maintained by Johannes Rainer. Last updated 2 months ago.
massspectrometrymetabolomicsannotationdatabasesmass-spectrometry
17 stars 8.35 score 69 scripts 1 dependentsbioc
rawrr:Direct Access to Orbitrap Data and Beyond
This package wraps the functionality of the Thermo Fisher Scientic RawFileReader .NET 8.0 assembly. Within the R environment, spectra and chromatograms are represented by S3 objects. The package provides basic functions to download and install the required third-party libraries. The package is developed, tested, and used at the Functional Genomics Center Zurich, Switzerland.
Maintained by Christian Panse. Last updated 4 months ago.
massspectrometryproteomicsmetabolomicsinfrastructuresoftwarefastmass-spectrometrymultiplatformorbitrap-ms
56 stars 8.19 score 23 scripts 2 dependents
john-harrold
ubiquity:PKPD, PBPK, and Systems Pharmacology Modeling Tools
Complete work flow for the analysis of pharmacokinetic pharmacodynamic (PKPD), physiologically-based pharmacokinetic (PBPK) and systems pharmacology models including: creation of ordinary differential equation-based models, pooled parameter estimation, individual/population based simulations, rule-based simulations for clinical trial design and modeling assays, deployment with a customizable 'Shiny' app, and non-compartmental analysis. System-specific analysis templates can be generated and each element includes integrated reporting with 'PowerPoint' and 'Word'.
Maintained by John Harrold. Last updated 8 days ago.
13 stars 7.14 score 33 scriptsbioc
MsBackendMassbank:Mass Spectrometry Data Backend for MassBank record Files
Mass spectrometry (MS) data backend supporting import and export of MS/MS library spectra from MassBank record files. Different backends are available that allow handling of data in plain MassBank text file format or allow also to interact directly with MassBank SQL databases. Objects from this package are supposed to be used with the Spectra Bioconductor package. This package thus adds MassBank support to the Spectra package.
Maintained by RforMassSpectrometry Package Maintainer. Last updated 1 months ago.
infrastructuremassspectrometrymetabolomicsdataimportmassbankspectra
3 stars 5.81 score 27 scriptsbioc
MsBackendSql:SQL-based Mass Spectrometry Data Backend
SQL-based mass spectrometry (MS) data backend supporting also storange and handling of very large data sets. Objects from this package are supposed to be used with the Spectra Bioconductor package. Through the MsBackendSql with its minimal memory footprint, this package thus provides an alternative MS data representation for very large or remote MS data sets.
Maintained by Johannes Rainer. Last updated 13 days ago.
infrastructuremassspectrometrymetabolomicsdataimportproteomics
4 stars 5.41 score 16 scripts
cran
matlab:'MATLAB' Emulation Package
Emulate 'MATLAB' code using 'R'.
Maintained by P. Roebuck. Last updated 9 months ago.
4.09 score 19 dependents
rformassspectrometry
MsBackendTimsTof:Mass spectrometry Data Backend for Bruker TimsTOF Files
Mass spectrometry (MS) data backend supporting import and export of (ion mobility) MS data from Bruker TimsTOF files. The backend uses the opentimsr package which relies on the proprietory vendor C++ library for raw data access. The backend thus supports import of MS data from the original raw data files.
Maintained by Johannes Rainer. Last updated 1 years ago.
infrastructuremassspectrometrymetabolomicsdataimportmass-spectrometry
7 stars 3.85 score
cecilemercadier
satdad:Sensitivity Analysis Tools for Dependence and Asymptotic Dependence
Tools for analyzing tail dependence in any sample or in particular theoretical models. The package uses only theoretical and non parametric methods, without inference. The primary goals of the package are to provide: (a)symmetric multivariate extreme value models in any dimension; theoretical and empirical indices to order tail dependence; theoretical and empirical graphical methods to visualize tail dependence.
Maintained by Cécile Mercadier. Last updated 2 years ago.
2.00 score 2 scripts
ctszkin
Jmisc:Julian Miscellaneous Function
Some handy function in R.
Maintained by TszKin Julian Chan. Last updated 3 years ago.
1.98 score 95 scripts