Pharmacokinetics Python Packages

pantometry

Physics for simulated worlds in Rust: a kernel that knows no domain and thirteen that do — heat, mechanics, optics, acoustics, electromagnetism, elasticity, fluids, porous media, molecular dynamics, electrical, quantum, pharmacokinetics, protein folds — plus scene and view layers that know none. Dimensions in the types, conservation audited.

dualis

Physics for simulated worlds in Rust: a kernel that knows no domain and thirteen that do — heat, mechanics, optics, acoustics, electromagnetism, elasticity, fluids, porous media, molecular dynamics, electrical, quantum, pharmacokinetics, protein folds — plus scene and view layers that know none. Dimensions in the types, conservation audited.

openpkflow

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

chi-drm

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

cellsim

Physics-first, uncertainty-honest in-silico cell and drug-response simulator (Python). Validated docking/ADMET input layer (Vina, OpenFF, xTB), cell-level PK/PD modules, and a cell/colony engine under construction toward a validated interactive dish.

simbiology-mcp

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

scigantic-deeppk

Client for Deep-PK's small-molecule ADMET/toxicity prediction API, plus a mirrored CYP450 inhibitor/substrate reference dataset.

pharmode

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.

oxbiodtp-7-pk-modelling

Customisable pharmacokinetic model accessible via bash CLI allowing for variable dose calculations as well as intravenous and subcutaneous administration calculations

moisscode

A domain-specific language for clinical decision support and biotech workflow automation

pysb-pkpd

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

opendose-poppk

Modular Python framework for Population PK/PD modeling