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. At the moment, only pre-built binaries for MS Windows are provided. 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¶
Download the latest release for your platform (currently only binaries for windows are provided).
Unzip the archive to your destination directory
Install from source¶
Install a frontend¶
As of now, a MATLAB and a Python frontend are provided. In general, we recommend to use the Python frontend. Note that the MATLAB interface is no longer actively developed and will be deprecated in a later version.
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.
CADET-Python, open an Anaconda Shell and and install these additional packages:
conda install numpy scipy matplotlib gitpython jupyterlab ipywidgets conda install -c conda-forge jupyter_contrib_nbextensions jupyter_nbextensions_configurator
Moreover, we need to allow some additional channels for installing
conda config --add channels anaconda-fusion conda config --add channels conda-forge
Then, to install
conda install -c immudzen cadet-python
If you would also like to use CADET-Match for parameter estimation, run:
conda install -c immudzen cadetmatch
Note that the MATLAB interface is no longer actively developed and will be deprecated in a later version.
The MATLAB frontend is distributed with the pre-built binaries.
Run MATLAB and call
installCADET() in the command window.