R packages by mattfidler

rxode2 - Facilities for Simulating from ODE-Based Models

Facilities for running simulations from ordinary differential equation ('ODE') models, such as pharmacometrics and other compartmental models. A compilation manager translates the ODE model into C, compiles it, and dynamically loads the object code into R for improved computational efficiency. An event table object facilitates the specification of complex dosing regimens (optional) and sampling schedules. NB: The use of this package requires both C and Fortran compilers, for details on their use with R please see Section 6.3, Appendix A, and Appendix D in the "R Administration and Installation" manual. Also the code is mostly released under GPL. The 'VODE' and 'LSODA' are in the public domain. The information is available in the inst/COPYRIGHTS.

Last updated 4 hours ago

11.02 score 30 stars 12 packages 210 scripts 2.9k downloads

nlmixr2 - Nonlinear Mixed Effects Models in Population PK/PD

Fit and compare nonlinear mixed-effects models in differential equations with flexible dosing information commonly seen in pharmacokinetics and pharmacodynamics (Almquist, Leander, and Jirstrand 2015 <doi:10.1007/s10928-015-9409-1>). Differential equation solving is by compiled C code provided in the 'rxode2' package (Wang, Hallow, and James 2015 <doi:10.1002/psp4.12052>).

Last updated 24 days ago

8.42 score 40 stars 3 packages 102 scripts 1.7k downloads

nlmixr2est - Nonlinear Mixed Effects Models in Population PK/PD, Estimation Routines

Last updated 2 days ago

8.13 score 7 stars 9 packages 22 scripts 2.1k downloads

lotri - A Simple Way to Specify Symmetric, Block Diagonal Matrices

Provides a simple mechanism to specify a symmetric block diagonal matrices (often used for covariance matrices). This is based on the domain specific language implemented in 'nlmixr2' but expanded to create matrices in R generally instead of specifying parts of matrices to estimate. It has expanded to include some matrix manipulation functions that are generally useful for 'rxode2' and 'nlmixr2'.

Last updated 2 months ago

7.64 score 5 stars 13 packages 18 scripts 1.8k downloads

lbfgsb3c - Limited Memory BFGS Minimizer with Bounds on Parameters with optim() 'C' Interface

Interfacing to Nocedal et al. L-BFGS-B.3.0 (See <http://users.iems.northwestern.edu/~nocedal/lbfgsb.html>) limited memory BFGS minimizer with bounds on parameters. This is a fork of 'lbfgsb3'. This registers a 'R' compatible 'C' interface to L-BFGS-B.3.0 that uses the same function types and optimization as the optim() function (see writing 'R' extensions and source for details). This package also adds more stopping criteria as well as allowing the adjustment of more tolerances.

Last updated 2 months ago

7.53 score 16 packages 16 scripts 3.6k downloads

ggPMX - 'ggplot2' Based Tool to Facilitate Diagnostic Plots for NLME Models

At Novartis, we aimed at standardizing the set of diagnostic plots used for modeling activities in order to reduce the overall effort required for generating such plots. For this, we developed a guidance that proposes an adequate set of diagnostics and a toolbox, called 'ggPMX' to execute them. 'ggPMX' is a toolbox that can generate all diagnostic plots at a quality sufficient for publication and submissions using few lines of code. This package focuses on plots recommended by ISoP <doi:10.1002/psp4.12161>. While not required, you can get/install the 'R' 'lixoftConnectors' package in the 'Monolix' installation, as described at the following url <https://monolix.lixoft.com/monolix-api/lixoftconnectors_installation/>. When 'lixoftConnectors' is available, 'R' can use 'Monolix' directly to create the required Chart Data instead of exporting it from the 'Monolix' gui.

Last updated 12 months ago

pharmacometricspmxreporting

7.21 score 37 stars 79 scripts 634 downloads

nonmem2rx - Converts 'NONMEM' Models to 'rxode2'

'NONMEM' has been a tool for running nonlinear mixed effects models since the 80s and is still used today (Bauer 2019 <doi:10.1002/psp4.12404>). This tool allows you to convert 'NONMEM' models to 'rxode2' (Wang, Hallow and James (2016) <doi:10.1002/psp4.12052>) and with simple models 'nlmixr2' syntax (Fidler et al (2019) <doi:10.1002/psp4.12445>). The 'nlmixr2' syntax requires the residual specification to be included and it is not always translated. If available, the 'rxode2' model will read in the 'NONMEM' data and compare the simulation for the population model ('PRED') individual model ('IPRED') and residual model ('IWRES') to immediately show how well the translation is performing. This saves the model development time for people who are creating an 'rxode2' model manually. Additionally, this package reads in all the information to allow simulation with uncertainty (that is the number of observations, the number of subjects, and the covariance matrix) with a 'rxode2' model. This is complementary to the 'babelmixr2' package that translates 'nlmixr2' models to 'NONMEM' and can convert the objects converted from 'nonmem2rx' to a full 'nlmixr2' fit.

Last updated 2 months ago

nlmixr2nonmempharmacometricsrxode2

6.56 score 9 stars 1 packages 30 scripts 630 downloads

nlmixr2extra - Nonlinear Mixed Effects Models in Population PK/PD, Extra Support Functions

Last updated 2 days ago

5.84 score 3 stars 5 packages 11 scripts 1.7k downloads

babelmixr2 - Use 'nlmixr2' to Interact with Open Source and Commercial Software

Run other estimation and simulation software via the 'nlmixr2' (Fidler et al (2019) <doi:10.1002/psp4.12445>) interface including 'PKNCA', 'NONMEM' and 'Monolix'. While not required, you can get/install the 'lixoftConnectors' package in the 'Monolix' installation, as described at the following url <https://monolixsuite.slp-software.com/r-functions/2024R1/installation-and-initialization>. When 'lixoftConnectors' is available, 'Monolix' can be run directly instead of setting up command line usage.

Last updated 2 days ago

monolixnonmempharmacometrics

5.83 score 8 stars 53 scripts 795 downloads

dparser - Port of 'Dparser' Package

A Scannerless GLR parser/parser generator. Note that GLR standing for "generalized LR", where L stands for "left-to-right" and R stands for "rightmost (derivation)". For more information see <https://en.wikipedia.org/wiki/GLR_parser>. This parser is based on the Tomita (1987) algorithm. (Paper can be found at <https://aclanthology.org/P84-1073.pdf>). The original 'dparser' package documentation can be found at <https://dparser.sourceforge.net/>. This allows you to add mini-languages to R (like rxode2's ODE mini-language Wang, Hallow, and James 2015 <DOI:10.1002/psp4.12052>) or to parse other languages like 'NONMEM' to automatically translate them to R code. To use this in your code, add a LinkingTo dparser in your DESCRIPTION file and instead of using #include <dparse.h> use #include <dparser.h>. This also provides a R-based port of the make_dparser <https://dparser.sourceforge.net/d/make_dparser.cat> command called mkdparser(). Additionally you can parse an arbitrary grammar within R using the dparse() function, which works on most OSes and is mainly for grammar testing. The fastest parsing, of course, occurs at the C level, and is suggested.

Last updated 1 months ago

5.44 score 4 stars 13 packages 5 scripts 2.5k downloads

PreciseSums - Accurate Floating Point Sums and Products

Most of the time floating point arithmetic does approximately the right thing. When adding sums or having products of numbers that greatly differ in magnitude, the floating point arithmetic may be incorrect. This package implements the Kahan (1965) sum <doi:10.1145/363707.363723>, Neumaier (1974) sum <doi:10.1002/zamm.19740540106>, pairwise-sum (adapted from 'NumPy', See Castaldo (2008) <doi:10.1137/070679946> for a discussion of accuracy), and arbitrary precision sum (adapted from the fsum in 'Python' ; Shewchuk (1997) <https://people.eecs.berkeley.edu/~jrs/papers/robustr.pdf>). In addition, products are changed to long double precision for accuracy, or changed into a log-sum for accuracy.

Last updated 2 months ago

5.03 score 1 stars 14 packages 6 scripts 1.7k downloads

nlmixr2data - Nonlinear Mixed Effects Models in Population PK/PD, Data

Datasets for 'nlmixr2' and 'rxode2'. 'nlmixr2' is used for fitting and comparing nonlinear mixed-effects models in differential equations with flexible dosing information commonly seen in pharmacokinetics and pharmacodynamics (Almquist, Leander, and Jirstrand 2015 <doi:10.1007/s10928-015-9409-1>). Differential equation solving is by compiled C code provided in the 'rxode2' package (Wang, Hallow, and James 2015 <doi:10.1002/psp4.12052>).

Last updated 10 months ago

4.99 score 3 stars 9 packages 6 scripts 1.2k downloads

nlmixr2plot - Nonlinear Mixed Effects Models in Population PK/PD, Plot Functions

Last updated 2 months ago

4.81 score 2 stars 4 packages 6 scripts 1.1k downloads

rxode2ll - Log-Likelihood Functions for 'rxode2'

Provides the log-likelihoods with gradients from 'stan' (Carpenter et al (2015), <doi:10.48550/arXiv.1509.07164>) needed for generalized log-likelihood estimation in 'nlmixr2' (Fidler et al (2019) <doi:10.1002/psp4.12445>). This is split of to reduce computational burden of recompiling 'rxode2' (Wang, Hallow and James (2016) <doi:10.1002/psp4.12052>) which runs the 'nlmixr2' models during estimation.

Last updated 19 hours ago

4.73 score 2 stars 13 packages 1 scripts 1.4k downloads

n1qn1 - Port of the 'Scilab' 'n1qn1' Module for Unconstrained BFGS Optimization

Provides 'Scilab' 'n1qn1'. This takes more memory than traditional L-BFGS. The n1qn1 routine is useful since it allows prespecification of a Hessian. If the Hessian is near enough the truth in optimization it can speed up the optimization problem. The algorithm is described in the 'Scilab' optimization documentation located at <https://www.scilab.org/sites/default/files/optimization_in_scilab.pdf>. This version uses manually modified code from 'f2c' to make this a C only binary.

Last updated 3 months ago

4.26 score 1 stars 9 packages 4 scripts 1.3k downloads