You're reading the documentation for a development version. For the latest released version, please have a look at v4.4.0.

Installation

A CADET installation consists of two parts: The CADET core simulator and a frontend.

Install CADET core simulator

The core simulator can be compiled from source, or you can download pre-built binaries. If you want to extend or modify CADET (e.g., add a custom binding model), you will need to build CADET from source.

Install pre-built binaries

CADET can be installed via conda from the conda-forge channel.

conda install -c conda-forge cadet

This requires a working conda installation.

Optionally, use mamba which uses a faster dependency solver than conda.

mamba install -c conda-forge cadet

Install from source

• Build for Linux

• Build for MS Windows

• Build for OSX

Install a frontend

As of now, only a Python frontend is provided.

Install CADET-Python

The easiest way to create CADET simulations is to use the CADET-Python frontend. For this purpose, we recommend installing Anaconda. Anaconda is a high-performance scientific distribution of Python that includes many common packages needed for scientific and engineering work. Download the installer from their website and run it for the local user.

To install CADET-Python, open an Anaconda Shell and execute:

pip install cadet-python

If you would also like to use CADET-Match for parameter estimation, run:

pip install cadetmatch