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https://github.com/cadet/cadet-core

A modular, fast, and accurate simulation framework for (bio)chemical processes
https://github.com/cadet/cadet-core

cadet chromatography chromatography-analysis general-rate-model simulator

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A modular, fast, and accurate simulation framework for (bio)chemical processes

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README 

        
CADET-Core

==========



.. image:: https://img.shields.io/github/release/cadet/cadet-core.svg

   :target: https://github.com/cadet/cadet-core/releases



.. image:: https://github.com/cadet/cadet-core/actions/workflows/ci.yml/badge.svg?branch=master

   :target: https://github.com/cadet/cadet-core/actions/workflows/ci.yml?query=branch%3Amaster



.. image:: https://anaconda.org/conda-forge/cadet/badges/downloads.svg

   :target: https://anaconda.org/conda-forge/cadet



.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.8179015.svg

   :target: https://doi.org/10.5281/zenodo.8179015



.. image:: https://img.shields.io/badge/JuRSE_Code_Pick-Oct_2024-blue.svg

   :target: https://www.fz-juelich.de/en/rse/community-initiatives/jurse-code-of-the-month/october-2024



- **Website (including documentation):** https://cadet.github.io

- **Forum:** https://forum.cadet-web.de

- **Source:** https://github.com/cadet/cadet-core

- **Bug reports:** https://github.com/cadet/cadet-core/issues

- **Demo:** https://www.cadet-web.de 

- **Newsletter:** https://cadet-web.de/newsletter/



Installation

------------

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



``conda install -c conda-forge cadet``



This requires a working `conda installation `_.



`Additional information `_ and a `tutorial `_ are available to guide you through the installation and the first steps of using CADET.



Citing

------------

The development of CADET-Core has been a collaborative effort, with multiple dedicated individuals contributing their expertise to create a powerful and versatile open-source software tool.

Countless hours of hard work have been invested to provide the scientific community with a valuable resource.

As an open-source project, CADET-Core relies on the support and recognition from users and researchers to thrive.

Therefore, we kindly ask that any publications or projects leveraging the capabilities of CADET-Core acknowledge its creators and their contributions by citing an adequate selection of our publications.



**General:**



- Leweke, S.; von Lieres, E.: `Chromatography Analysis and Design Toolkit (CADET) `_, Computers and Chemical Engineering **113** (2018), 274–294.



- von Lieres, E.; Andersson, J.: `A fast and accurate solver for the general rate model of column liquid chromatography `_, Computers and Chemical Engineering **34,8** (2010), 1180–1191.



**Major extensions:**



- Breuer, J. M.; Leweke, S.; Schmölder, J.; Gassner, G.; von Lieres, E.: `Spatial discontinuous Galerkin spectral element method for a family of chromatography models in CADET `_, Computers and Chemical Engineering **177** (2023), 108340.



- Zhang, W.; Przybycien T., Schmölder J. , Leweke S. , von Lieres E.: `Solving crystallization/precipitation population balance models in CADET, part I: Nucleation growth and growth rate dispersion in batch and continuous modes on nonuniform grids `_, Computers and Chemical Engineering **183** (2024), 108612.



- Püttmann, A.; Schnittert, S.; Naumann, U.; von Lieres, E.: `Fast and accurate parameter sensitivities for the general rate model of column liquid chromatography `_, Computers and Chemical Engineering **56** (2013), 46–57.



Additionally, to ensure reproducibility of your work, we recommend citing the zenodo doi corresponding to the specific CADET-Core release that you used.



For a comprehensive list and guidance on citing CADET-Core publications, please refer to the publications section of the `documentation `_.



Ongoing Development

-------------------



We do our best to provide you with a stable API. However, CADET-Core is actively developed and breaking changes can sometimes be unavoidable. For non-developers, it is recommended to upgrade from release to release instead of always working with the most recent commit.



Bugs

----



Please report any bugs that you find `here `_. Or, even better, fork the repository on `GitHub `_ and create a pull request (PR) with the fix. 



Donations

---------



`Donations `_ for helping to host, maintain, and further develop the CADET-Core project are highly appreciated.



Copyright and License Notice

----------------------------



Copyright (C) 2008-present: The CADET-Core Authors (see `AUTHORS.md `_).



This program is free software: you can redistribute it and/or modify it under the terms of the

GNU General Public License as published by the Free Software Foundation, either version 3 of

the License, or (at your option) any later version (see `LICENSE.txt `_).



This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without

even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the

GNU General Public License for more details.



You should have received a copy of the GNU General Public License along with this program, see below.

If not, see .



Except as contained in this notice, the name of a copyright holder shall not be used in advertising

or otherwise to promote the sale, use, or other dealings in this Software without prior written

authorization of the copyright holder.



Acknowledgments

---------------



Please refer to the `list of contributors `_ who helped building and funding this project.