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Pharmacometric modelling

Project description

Pharmpy is a library for pharmacometrics. It can be used as a regular python package, in R via reticulate or via its built in command line interface.

Pharmpy is architectured to be able to handle different types of model formats and data formats and exposes a model agnostic API.

Current features:

  • Parsing of many parts of a NONMEM model file

  • Parsing of NONMEM result files

  • CLI supporting dataset filtering, resampling, anonymization and viewing

Pharmpy is developed by the Uppsala University Pharmacometrics group.

0.23.2 (2021-04-28)

  • Fix bug #177

0.23.1 (2021-04-28)

  • Bugfixes

0.23.0 (2021-04-28)

  • Add function modelling.evaluate_expression

  • Some documentation for modelfit_results

  • Reworked interface to RandomVariables and Parameters

  • Bugfixes

0.22.0 (2021-03-29)

  • Support COM(n) in NONMEM abbreviated code

  • Fix stdin handling issue when running NONMEM from R

0.21.0 (2021-03-22)

  • New function read_results in modeling

  • Add method to convert ExplicitODESystem to CompartmentalSystem

  • Support running NONMEM 7.3 and 7.5

  • Bugfixes:

    • Allow protected functions in NONMEM abbreviated code

    • Fix bad rates when changing number of transit compartments (#123)

0.20.1 (2021-03-11)

  • Fix regression for calling NONMEM

0.20.0 (2021-03-11)

  • New function modeling.set_peripheral_compartments

  • New tool Model Search

  • New model attribute estimation_steps to read and change $ESTIMATION

  • Bugfixes (#99, #118)

0.19.0 (2021-03-02)

  • Add create_result to create results from PsN

  • Add documentation for covariate effects

0.18.0 (2021-03-01)

  • Add functions to fix and unfix values to a specified value

  • Add documentation for using Pharmpy with NONMEM models

  • New execution system for modelfit

  • Support for single string input for transformations of etas and epsilons (e.g. add_iov)

  • Various bugfixes, including running NONMEM via Pharmpy on Windows

0.17.0 (2021-02-15)

  • Add function to split an eta from a block structure

  • New names for covariance between etas in create_rv_block

  • Clearer error messages when adding IOVs (if only one level of occasion) and for parameter_names config

0.16.0 (2021-02-08)

  • Improve initial estimates for adding peripheral compartments

  • Parameter names are set according to priority in config

  • Avoid duplication of e.g. median/mean when having multiple covariate effects with the same covariate

  • Change assignments when multiple covariate effects are applied to the same parameter to be combined in one line

  • Do not change error model if it is the same error model transformation multiple times

  • Add AggregatedModelfitResults

  • Document scm results

0.15.0 (2021-02-01)

  • Change parameter_names config option to be a list of prioritized methods

  • Option to read names from $ABBR for NONMEM models

  • Add option to give parameter names to methods.add_iiv

  • Add calculation of elimination half-life to one comp models in modelfit_results.pk_parameters

  • Document cdd results

  • Add set_initial_estimates, set_name and copy_model to modeling

  • Allow single str as input to add_iiv and add_iov

0.14.0 (2021-01-25)

  • Support reading $DES-records

  • Add individual_parameter_statistics to ModelfitResults

  • Add pk_parameters to ModelfitResults

  • Add add_iov to modeling

  • Rename add_etas -> add_iiv

0.13.0 (2021-01-18)

  • Change names of covariate effect parameters for add_covariate_effects

  • Improve ordering of terms in created NONMEM expressions

  • Add parameter_inits, base_parameter_change, parameter_variability and coefficients to frem_results

  • Add SimevalResults class

  • Add fit and read_model_from_string functions to modeling

  • Add solver attribute to ODESystem to be able to select ODE-system solver. Currently ADVANs for NONMEM

  • New method nonfixed_inits to ParameterSet

  • Add residuals attribute to ModelfitResults

  • Various bug fixes

  • Migrate to github actions for continuous integration

0.12.0 (2020-12-18)

  • Add modeling.update_inits, modeling.add_peripheral_compartment and modeling.remove_peripheral_compartment

  • Update FREM documentation

  • Switch to using modelled covariate values for baselines in FREM

  • Add methods for retrieving doses and Cmax, Tmax, Cmin and Tmin from dataset

  • Various bugfixes and support for more ADVAN/TRANS combinations

0.11.0 (2020-11-20)

  • Method df.pharmpy.observations to extract observations from dataframe

  • Add ColumnTypes EVENT and DOSE

  • Add model.to_base_model to convert model to its raw base model form

  • New functions in modeling: remove_iiv, zero_order_elimination, comined_mm_fo_elimination and add_parameter

  • Split modeling.absorption_rate and error into multiple functions

  • Add calculations of AIC and BIC to ModelfitResults

  • Improved pretty printing

0.10.0 (2020-11-16)

  • modeling.create_rv_block

  • modeling.michaelis_menten_elimination

  • modeling.set_transit_compartments

  • First version of modelfit method

  • Add first version of bootstrap method

  • Add parameter estimates histograms to bootstrap report

  • Add automatic update of $SIZES PD when writing/updating NONMEM model

  • Additions to QAResults

  • NMTRanParseError replaced with ModelSyntaxError

  • Multiple bugfixes to frem and scm result calculations

0.9.0 (2020-10-26)

  • Add error_model function to the modeling module

  • Added more standard models for modeling.add_etas

  • Improve BootstrapResults

  • Add plots to bootstrap

  • Add support for the PHARMPYCONFIGPATH environment variable

  • Add QAResults and LinearizeResults classes

  • Bugfixes for some Windows specific issues

0.8.0 (2020-10-08)

  • Add basic modeling functions to the modeling module

  • modeling.add_etas

  • Improved bootstrap results generation and additional plots

  • Bugfix: Labelled OMEGAS could sometimes get wrong symbol names

0.7.0 (2020-09-28)

  • Add method reset_indices in Results to flatten multiindices. Useful from R.

  • absorption_rate can also set sequential zero first absorption

  • New functionsadd_lag_time and remove_lag_time in modeling

  • Add basic functions fix/unfix_parameter, update_source and read_model to modeling API

  • Updated reading of NONMEM results

  • Bugfixes in add_covariate_effects and absorption_rate

  • Fix crash in FREM results if no log option could be found in meta.yaml

0.6.0 (2020-09-18)

  • Add eta transformations: boxcox, t-dist and John Draper

  • Add results cdd and scm to CLI

  • Add different views for scm results

  • Add support for taking parameter names from comment in NONMEM model

  • Remove assumptions for symbols

  • Add modeling.absorption_rate to set 0th or first order absorption

  • Add update of $TABLE numbers

0.5.0 (2020-09-04)

  • Many bugfixes and improvements to NONMEM code record parser

  • Add calculation of symbolic and numeric eta and eps gradients, population and individulal prediction and wres for PRED models

  • Add option to use comments in NONMEM parameter records as names for parameters

  • Reading of ODE systems from NONMEM non-$DES models

  • Calculation of compartmental matrix and ODE system

  • New module ‘modeling’

  • Function in modeling and CLI to change ADVAN implicit compartmental models to explicit $DES

  • Function in modeling and CLI to add covariate effects

  • Functions for reading cdd and scm results from PsN runs

  • Many API updates

  • Extended CLI documentation

0.4.0 (2020-07-24)

  • Add categorical covariates to covariate effects plot in FREM

  • Better support for reading NONMEM code statements (PK and PRED)

  • Support for updating NONMEM code statements (PK and PRED)

  • Bugfixes for CLI

0.3.0 (2020-06-16)

  • New CLI command ‘data append’

  • Parameter names is now the index in Parameters.summary()

  • FREM postprocessing

  • Standardized results.yaml and results.csv

0.2.0 (2020-03-27)

First release

0.1.0 (2018-07-22)

Initial library development/testing directory structure.

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