Package: dMod 1.1.0

dMod: Dynamic Modeling and Parameter Estimation in ODE Models

The framework provides functions to generate ODEs of reaction networks, parameter transformations, observation functions, residual functions, etc. The framework follows the paradigm that derivative information should be used for optimization whenever possible. Therefore, all major functions produce and can handle expressions for symbolic derivatives.

Authors:Daniel Kaschek

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dMod.pdf |dMod.html
dMod/json (API)

# Install 'dMod' in R:
install.packages('dMod', repos = c('https://dkaschek.r-universe.dev', 'https://cloud.r-project.org'))

Peer review:

Bug tracker:https://github.com/dkaschek/dmod/issues

Datasets:
  • jakstat - Time-course data for the JAK-STAT cell signaling pathway

On CRAN:

174 exports 19 stars 3.29 score 47 dependencies 9 mentions 251 scripts 266 downloads

Last updated 1 months agofrom:485b6255cd. Checks:ERROR: 7. Indexed: yes.

TargetResultDate
Doc / VignettesFAILSep 11 2024
R-4.5-winERRORSep 11 2024
R-4.5-linuxERRORSep 11 2024
R-4.4-winERRORSep 11 2024
R-4.4-macERRORSep 11 2024
R-4.3-winERRORAug 12 2024
R-4.3-macERRORAug 12 2024

Exports:%.*%+.objlistaddEventaddReactionappendObjappendParframesas.datalistas.eqnlistas.eqnvecas.eventlistas.objlistas.parframeas.parlistas.parvecas.prdlistattrsblockdiagSymbbranchc.parlistcheckout_hypothesiscombinecomparecompileconservedQuantitiesconstraintL2controlscontrols<-coordTransformcovariatescreateExampledatalistdatapointL2datapointL2_indivdefinedetectFreeCoresdistributed_computingdMod.framedoteqnlisteqnveceventlistexmpextrextractExamplesfitErrorModelforcingsSymbformat.eqnvecfunC0getConditionsgetDerivsgetElementsgetEquationsgetEstGridParameterMappinggetFluxesgetLocalDLLsgetObservablesgetParametersgetParametersToEstimategetParGridsgetReactionsgetStepIndicesgetStepsggopengridlistIdimport_sbmlindiv_addGlobalParsToGridlistindiv_addLocalParsToGridListinsertinstallJuliaForSteadyStatesis.datalistis.eqnlistis.eqnvecis.parframelbindload.parlistloadDLLlong2widelsdModmake_parsmatch.fnargsmnamemodelnamemodelname<-modelNLMEmodelSAEMIXmsParframemstrustmutatedMod.framenllnormL2normL2_indivnullZobjframeobjlistobjtimesobsfnodemodeloptionsLSODAoptionsLSODEoptionsLSODESPP_indivparfnparframeparlistparvecPexplPimplplotArrayplotCombinedplotDataplotFluxesplotParsplotPathsplotPaths.tbl_dfplotPathsMultiplotPredictionplotProfileplotProfilesAndPathsplotResidualsplotValuesPRD_indivprdfnprdframeprdlistpredtimesprint0priorL2profileprofile_pars_per_nodeprogressBarpython_version_requestpython_version_rpythonpython_version_sysreduceReplicatesrenameDerivParsrenameDerivParsInObjlistreparrepWithNamesresresolveRecurrencerrefrunbgrunbg_bwforrunbg_bwfor_slurmrunbg_bwfor_sshpassrunbgInstallsaveShinysaveShiny_dMod.framescale_color_dModscale_fill_dModscaledependentscaleinvariantsteadyStatessteadyStateToolJuliasubmatrixsubset.eqnlistsymmetryDetectiontheme_dModtimepointL2_indivtrusttrustL1unclass_parvecvcovwide2longwide2long.data.framewide2long.listwide2long.matrixwrite.eqnlistXdXfXsXtY

Dependencies:clicOdecodetoolscolorspacecrayondata.tabledeSolvedoParalleldplyrfansifarverforeachgenericsggplot2gluegtableisobanditeratorslabelinglatticelifecyclemagrittrMASSMatrixmgcvmunsellnlmepillarpkgconfigplyrpurrrR6RColorBrewerRcpprjsonrlangrootSolvescalesstringistringrtibbletidyselectutf8vctrsviridisLitewithryaml

Readme and manuals

Help Manual

Help pageTopics
Concatenation of functions*.fn prodfn
Multiplication of objective functions with scalars%.*%
Direct sum of datasets+.datalist sumdatalist
Direct sum of functions+.fn sumfn
Direct sum of objective functions+.objfn sumobjfn
Add two lists element by element+.objlist sumobjlist
Add reaction to reaction tableaddReaction
Append an objective function to a basic dMod.frameappendObj
Make a column "parframes" out of "fits"appendParframes
Coerce to a Data Frameas.data.frame.datalist as.data.frame.prdlist
Coerce equation list into a data frameas.data.frame.eqnlist
Coerce to an equation vectoras.eqnvec as.eqnvec.character as.eqnvec.eqnlist
Coerce to eventlistas.eventlist as.eventlist.data.frame as.eventlist.list
Generate objective list from numeric vectoras.objlist
Coerce object to a parameter frameas.parframe as.parframe.parlist
Select a parameter vector from a parameter frame.as.parvec.parframe
Select attributes.attrs
Embed two matrices into one blockdiagonal matrixblockdiagSymb
Run some checks on the prediction in normL2_indivcheck_and_sanitize_prediction
Load one row of a dMod.frame into the .GlobalEnvcheckout_hypothesis
Combine several data.frames by rowbindcombine
Compare two objects and return differencescompare compare.character compare.data.frame compare.eqnvec compare.list
Compile one or more prdfn, obsfn or parfn objectscompile
Profile uncertainty extractionconfint.parframe
Determine conserved quantites by finding the kernel of the stoichiometric matrixconservedQuantities
Compute a differentiable box priorconstraintExp2
Soft L2 constraint on parametersconstraintL2
List, get and set controls for different functionscontrols controls.fn controls.objfn controls<- controls<-.fn controls<-.objfn
Coordinate transformation for data framescoordTransform
Access the covariates in the datacovariates covariates.data.frame covariates.datalist covariates.tbl_df
Open a unit test template.createExample
Generate a datalist objectas.datalist as.datalist.data.frame as.datalist.list c.datalist datalist is.datalist names<-.datalist
L2 objective function for validation data pointdatapointL2
DatapointL2 without access to stored predictionsdatapointL2_indiv
Define parameter transformations by 'define()', 'branch()' and 'insert()'branch define insert
Detect number of free cores (on UNIX)detectFreeCores
Run an any R function on a remote HPC system with SLURMdistributed_computing
Generate a dMod.framedMod.frame
Symbolic time derivative of equation vector given an equation listdot
Generate eqnlist objectas.eqnlist as.eqnlist.data.frame eqnlist is.eqnlist
Generate equation vector objecteqnvec is.eqnvec
EventlistaddEvent eventlist
Extract an example from a unit test file.exmpextr
Alternative version of expand.gridexpand.grid.alt
Extract example from unit tests.extractExamples
Fit an error modelfitErrorModel
Return some useful forcing functions as stringsforcingsSymb
Encode equation vector in format with sufficient spacesformat.eqnvec
Evaluation of algebraic expressions defined by charactersfunC0
Get coefficients from a charactergetCoefficients
Extract the conditions of an objectgetConditions getConditions.fn getConditions.list getConditions.tbl_df
Extract the derivatives of an objectgetDerivs getDerivs.list getDerivs.objlist getDerivs.parvec getDerivs.prdframe getDerivs.prdlist
Get Symbols and Numeric constants from a charactergetElements
Extract the equations of an objectgetEquations getEquations.fn getEquations.odemodel getEquations.prdfn
Get Parameter mappings outer.estgrid - inner.estgridgetEstGridParameterMapping
Generate list of fluxes from equation listgetFluxes
Determine loaded DLLs available in working directorygetLocalDLLs
Extract the observables of an objectgetObservables getObservables.tbl_df
Extract the parameters of an objectgetParameters getParameters.eqnlist getParameters.eventlist getParameters.fn getParameters.odemodel getParameters.parvec getParameters.prdframe getParameters.prdlist
TitlegetParameters.data.table
Determine which parameters need sensitivitiesgetParametersToEstimate
Get est.grid and fixed.gridgetParGrids
Generate a table of reactions (data.frame) from an equation listgetReactions
Get the indices of the n largest (not necessarily best) steps of a parframegetStepIndices
Get the rows of the n largest steps of a parframegetSteps
Open last plot in external pdf viewerggopen
Collect grids in listgridlist
An identity function which vanishes upon concatenation of fnsId
Import an SMBL modelimport_sbml
Add single-valued parameters to the pargridsindiv_addGlobalParsToGridlist
Add individualized parameters to gridsindiv_addLocalParsToGridList
Create an objlist with zeros as entriesinit_empty_objlist
Install the julia setupinstallJuliaForSteadyStates
Time-course data for the JAK-STAT cell signaling pathwayjakstat
Bind named list of data.frames into one data.framelbind
Construct fitlist from temporary files.load.parlist
Load shared object for a dMod objectloadDLL
Translate long to wide format (inverse of wide2long.matrix)long2wide
Print list of dMod objects in .GlobalEnvlsdMod
Extract pars, fixed and parnames from grids for a given conditionmake_pars
dMod match function argumentsmatch.fnargs
Get modelname from single object (used internally)mname mname.character mname.fn mname.NULL mname.objfn
Get and set modelnamemodelname modelname<- modelname<-.fn modelname<-.objfn
Reproducibly construct "random" parframesmsParframe
Non-Linear Optimization, multi startmstrust
A version of dplyr::mutatemutatedMod.frame
Compute the negative log-likelihoodnll
Non-linear log likelihood for the ALOQ part of the datanll_ALOQ
Non-linear log likelihood for the BLOQ part of the datanll_BLOQ
L2 norm between data and model predictionnormL2
Fast normL2normL2_indiv
Find integer-null space of matrix AnullZ
Objective frameobjframe
Generate objective listobjlist
Get vector of logarithmically spaced time pointsobjtimes
Observation functionobsfn
Generate the model objects for use in Xs (models with sensitivities)odemodel
Get default arguments for integratorsoptionsLSODA optionsLSODE optionsLSODES
Generate a parameter transformation functionP
TitleP_indiv
Parameter transformation functionparfn
Generate a parameter frameis.parframe parframe subset.parframe [.parframe
Parameter listas.parlist c.parlist parlist summary.parlist
Parameter vectoras.parvec as.parvec.numeric c.parvec parvec [.parvec
Parameter transformationPexpl
Parameter transformation (implicit)Pimpl
Plot a list data pointsplot.datalist
Plot a parameter list.plot.parlist
Plot an array of trajectories along the profile of a parameterplotArray
Plot a list of model predictions and a list of data points in a combined plotplot.prdframe plot.prdlist plotCombined plotCombined.prdlist plotCombined.tbl_df
Plot a list data pointsplotData plotData.data.frame plotData.datalist plotData.tbl_df
Plot Fluxes given a list of flux EquationsplotFluxes
Plot parameter values for a fitlistplotPars plotPars.parframe plotPars.tbl_df
Profile likelihood: plot of the parameter paths.plotPaths plotPaths.tbl_df
Profile likelihood: plot all parameter paths belonging to one profile in one plotplotPathsMulti
Plot a list of model predictionsplotPrediction plotPrediction.prdlist plotPrediction.tbl_df
Profile likelihood plotplotProfile plotProfile.list plotProfile.parframe plotProfile.tbl_df
Profile likelihood: plot profiles along with their parameter pathsplotProfilesAndPaths
Plot residuals for a fitlistplotResiduals
Plotting objective values of a collection of fitsplotValues plotValues.parframe plotValues.tbl_df
TitlePRD_indiv
Prediction functionprdfn
Prediction frameprdframe
Prediction listas.prdlist as.prdlist.list prdlist
Model Predictionspredict.prdfn
Get a vector of linearly spaced time points for predictionpredtimes
Print or pander equation listprint.eqnlist
Print equation vectorprint.eqnvec
Pretty printing parameter transformationsprint.parfn
Pretty printing for a parameter vectorprint.parvec
Print object and its "default" attributes only.print0
L2 objective function for prior valuepriorL2
Profile-likelihood (PL) computationprofile
Generate parameter list for distributed profile calculationprofile_pars_per_node
Progress barprogressBar
Check if rPython comes with the correct Python versionpython_version_request
Get the Python version to which rPython is linkedpython_version_rpython
Check which Python versions are installed on the systempython_version_sys
Reduce replicated measurements to mean and standard deviationreduceReplicates
Update attr(prediction, "deriv") to correct par.grid.outer namesrenameDerivPars
Rename the gradient and hessian of an objlistrenameDerivParsInObjlist
Reparameterizationrepar
Named repititionsrepWithNames
Compare data and model prediction by computing residualsres
Place top elements into bottom elemensresolveRecurrence
Transform matrix A into reduced row echelon form this function is written along the lines of the rref-matlab function.rref
Run an R expression in the background (only on UNIX)runbg
Run an R expression on the bwForClusterrunbg_bwfor
Run an R expression on the bwForCluster via sshpass and slurmrunbg_bwfor_slurm
Run an R expression on the bwForCluster via sshpassrunbg_bwfor_sshpass
Remote install dMod to a ssh-reachable hostrunbgInstall
Save the necessary objects for dModtoShiny with the correct namessaveShiny
SaveShiny for dMod.framessaveShiny_dMod.frame
Standard dMod color palettescale_color_dMod
Standard dMod color schemescale_fill_dMod
Scale dependent flux sensitivity Analysisscaledependent
Scale invariant flux sensitivity Analysisscaleinvariant
Gather statistics of a fitliststat.parlist
Calculate analytical steady states.steadyStates
Calculated the steady states of a given modelsteadyStateToolJulia
Elide character vectorstrelide
Pad string to desired widthstrpad
Submatrix of a matrix returning ALWAYS a matrixsubmatrix
subset of an equation listsubset.eqnlist
Sum redundant columnssumDuplicatedParsInDeriv
Remove redundant outer namessumDuplicatedParsInObjlist
Summary of an equation vectorsummary.eqnvec
Search for symmetries in the loaded modelsymmetryDetection
Standard plotting theme of dModtheme_dMod
DatapointL2 without env accesstimepointL2_indiv
Non-Linear Optimizationtrust trustL1
Extract those lines of a parameter frame with unique elements in the value columnunique.parframe
Get variance-covariance matrix from trust resultvcov
Translate wide output format (e.g. from ode) into long formatwide2long
Translate wide output format (e.g. from ode) into long formatwide2long.data.frame
Translate wide output format (e.g. from ode) into long formatwide2long.list
Translate wide output format (e.g. from ode) into long formatwide2long.matrix
Write equation list into a csv filewrite.eqnlist
Model prediction function from data.frameXd
Model prediction function for ODE models without sensitivities.Xf
Model prediction function for ODE models.Xs
Generate a prediction function that returns timesXt
Observation functions.Y