{"id":13445818,"url":"https://github.com/cadet/CADET-Core","last_synced_at":"2025-03-21T05:31:19.541Z","repository":{"id":13651005,"uuid":"16344488","full_name":"cadet/CADET-Core","owner":"cadet","description":"A modular, fast, and accurate simulation framework for (bio)chemical 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design"],"sub_categories":[],"readme":"CADET-Core\n==========\n\n.. image:: https://img.shields.io/github/release/cadet/cadet-core.svg\n   :target: https://github.com/cadet/cadet-core/releases\n\n.. image:: https://github.com/cadet/cadet-core/actions/workflows/ci.yml/badge.svg?branch=master\n   :target: https://github.com/cadet/cadet-core/actions/workflows/ci.yml?query=branch%3Amaster\n\n.. image:: https://anaconda.org/conda-forge/cadet/badges/downloads.svg\n   :target: https://anaconda.org/conda-forge/cadet\n\n.. image:: https://zenodo.org/badge/DOI/10.5281/zenodo.8179015.svg\n   :target: https://doi.org/10.5281/zenodo.8179015\n\n.. image:: https://img.shields.io/badge/JuRSE_Code_Pick-Oct_2024-blue.svg\n   :target: https://www.fz-juelich.de/en/rse/community-initiatives/jurse-code-of-the-month/october-2024\n\n- **Website (including documentation):** https://cadet.github.io\n- **Forum:** https://forum.cadet-web.de\n- **Source:** https://github.com/cadet/cadet-core\n- **Bug reports:** https://github.com/cadet/cadet-core/issues\n- **Demo:** https://www.cadet-web.de \n- **Newsletter:** https://cadet-web.de/newsletter/\n\nInstallation\n------------\nCADET-Core can be installed via conda from the ``conda-forge`` channel.\n\n``conda install -c conda-forge cadet``\n\nThis requires a working `conda installation \u003chttps://github.com/conda-forge/miniforge\u003e`_.\n\n`Additional information \u003chttps://cadet.github.io/master/getting_started/installation\u003e`_ and a `tutorial \u003chttps://cadet.github.io/master/getting_started/tutorials/breakthrough\u003e`_ are available to guide you through the installation and the first steps of using CADET.\n\nCiting\n------------\nThe 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.\nCountless hours of hard work have been invested to provide the scientific community with a valuable resource.\nAs an open-source project, CADET-Core relies on the support and recognition from users and researchers to thrive.\nTherefore, 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.\n\n**General:**\n\n- Leweke, S.; von Lieres, E.: `Chromatography Analysis and Design Toolkit (CADET) \u003chttps://doi.org/10.1016/j.compchemeng.2018.02.025\u003e`_, Computers and Chemical Engineering **113** (2018), 274–294.\n\n- von Lieres, E.; Andersson, J.: `A fast and accurate solver for the general rate model of column liquid chromatography \u003chttps://doi.org/10.1016/j.compchemeng.2010.03.008\u003e`_, Computers and Chemical Engineering **34,8** (2010), 1180–1191.\n\n**Major extensions:**\n\n- 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 \u003chttps://doi.org/10.1016/j.compchemeng.2023.108340\u003e`_, Computers and Chemical Engineering **177** (2023), 108340.\n\n- 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 \u003chttps://doi.org/10.1016/j.compchemeng.2024.108612\u003e`_, Computers and Chemical Engineering **183** (2024), 108612.\n\n- Püttmann, A.; Schnittert, S.; Naumann, U.; von Lieres, E.: `Fast and accurate parameter sensitivities for the general rate model of column liquid chromatography \u003chttp://dx.doi.org/10.1016/j.compchemeng.2013.04.021\u003e`_, Computers and Chemical Engineering **56** (2013), 46–57.\n\nAdditionally, to ensure reproducibility of your work, we recommend citing the zenodo doi corresponding to the specific CADET-Core release that you used.\n\nFor a comprehensive list and guidance on citing CADET-Core publications, please refer to the publications section of the `documentation \u003chttps://cadet.github.io/master/publications.html\u003e`_.\n\nOngoing Development\n-------------------\n\nWe 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.\n\nBugs\n----\n\nPlease report any bugs that you find `here \u003chttps://github.com/cadet/cadet-core/issues\u003e`_. Or, even better, fork the repository on `GitHub \u003chttps://github.com/cadet/cadet-core\u003e`_ and create a pull request (PR) with the fix. \n\nDonations\n---------\n\n`Donations \u003chttps://www.paypal.com/cgi-bin/webscr?cmd=_s-xclick\u0026hosted_button_id=FCQ2M89558ZAG\u003e`_ for helping to host, maintain, and further develop the CADET-Core project are highly appreciated.\n\n\nCopyright and License Notice\n----------------------------\n\nCopyright (C) 2008-present: The CADET-Core Authors (see `AUTHORS.md \u003chttps://github.com/cadet/cadet-core/blob/master/AUTHORS.md\u003e`_).\n\nThis program is free software: you can redistribute it and/or modify it under the terms of the\nGNU General Public License as published by the Free Software Foundation, either version 3 of\nthe License, or (at your option) any later version (see `LICENSE.txt \u003chttps://github.com/cadet/cadet-core/blob/master/LICENSE.txt\u003e`_).\n\nThis program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without\neven the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the\nGNU General Public License for more details.\n\nYou should have received a copy of the GNU General Public License along with this program, see below.\nIf not, see \u003chttps://www.gnu.org/licenses/\u003e.\n\nExcept as contained in this notice, the name of a copyright holder shall not be used in advertising\nor otherwise to promote the sale, use, or other dealings in this Software without prior written\nauthorization of the copyright holder.\n\n\nAcknowledgments\n---------------\n\nPlease refer to the `list of contributors \u003chttps://github.com/cadet/cadet-core/blob/master/CONTRIBUTING.md\u003e`_ who helped building and funding this project.\n\n","project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fcadet%2FCADET-Core","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fcadet%2FCADET-Core","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fcadet%2FCADET-Core/lists"}