pkpd

library of C++ functions that support applications of Stan in Pharmacometrics

Population Experimental Design (PopED) in R

Chi is an open source Python package which is designed for PKPD modelling and model-informed precision dosing (MIPD).

R package for using ubiquity

Open-source nonlinear mixed-effects (NLME) modeling engine for population PK/PD and pharmacometrics, with FOCEI, SAEM, analytical PK, and ODE models.

PySB add-on providing domain-specific macros and models for empirical and mechanistic PK/PD modeling.

Create diagrams with ggplot.

Turn any AI agent into a clinical pharmacologist and pharmacometrician. It reviews, reconciles, and prepares evidence. It never selects a dose, signs off, or submits.

Physiology-based systems pharmacology model of thyroid hormones regulation in rat and human

A curated, tier-annotated dataset and simulation engine of tumor-growth-inhibition (TGI) and exposure-response models that quantifies model-selection risk in oncology drug development, exported directly into standard pharmacometric and systems-biology formats like NONMEM, SBML, and rxode2.

Python-first toolkit for dissolution similarity, NCA, PK/PD simulation, and pharmacometric reporting

A Python library for automated PK/PD ODE model identification from concentration–time data. Selects the compartmental structure, estimates parameters, and flags identifiability problems; no model specification or starting values required.

Physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) model of canagliflozin

How to cite: Van De Vyver, A.J., Eigenmann, M.J., Ovacik, M., Pöhl, C., Herter, S., Weinzierl, T., Fauti, T., Klein, C., Lehr, T., Bacac, M., Walz, A.-C. (2021). A novel approach for quantifying the pharmacological activity of T cell engagers utilizing in vitro time course experiments and streamlined data analysis. AAPS

ODE-based quantitative systems pharmacology model of B cell depletion and repopulation under anti-CD20 therapy (rituximab, ocrelizumab). Multi-compartment PK/PD with Bayesian parameter estimation, uncertainty quantification, and posterior predictive validation. Python · PyMC · scipy · MLflow.

PK/PD clinical trial simulator with virtual patients, adaptive randomization, external-control borrowing, and protocol optimization.

Documentation for ferx, an open-source NLME platform for population PK/PD with an R package and high-performance Rust engine.

Open Python Web App for Pharmcological Modeling and Analysis

An MCP server providing AI assistants with access to MATLAB SimBiology for modelling, simulating, and analyzing biological systems

Reproducibility-first mechanistic biology research stack: CFM (SCNT feasibility), BSE (virtual PK/PD physiology), and NSCS (closed-loop equation discovery).