CADET

Biotechnology process modeling combines fundamental research on complex mass transfer phenomena with industrial goals of process design and optimization. For over 20 years, CADET has provided a unified, open-source platform that integrates best practices in research software engineering to deliver unparalleled capabilities for advanced modeling and simulation. Originally developed by Eric von Lieres at FZ Jülich in 2004 for chromatography simulation, CADET has evolved into a versatile platform for a wide range of tasks and applications in biotechnology. Today, it includes unit operations such as chromatography, filtration, crystallization, and auxiliary components such as hold tanks, tubes, valves, and detectors. These can be coupled into complex networks, supporting closed-loop feedback and structural flexibility. The CADET platform is compatible with Windows, Linux, and macOS.

CADET-Core, the most mature module, provides an efficient C++ solver for domain specific partial differential-algebraic equations. The solver supports shared memory parallelization and provides parameter sensitivities through algorithmic differentiation. The latest version offers enhanced performance, expanded test coverage, and streamlined documentation. CADET-Verification enables rigorous testing based on order analysis and arbitrary precision reference solutions, provided by CADET-Semi-Analytic, which are also utilized by other projects to validate their codes. CADET-Process, a Python-based front end, allows flexible model configuration and supports computational engineering tasks such as model calibration, process optimization, and uncertainty quantification. CADET-RDM adds functionality of an electronic lab notebook specifically tailored for digital twin applications. CADET-Workshop provides tutorial and training materials.

Since 2012, CADET has been released as open source software, with FZ Jülich as the primary code owner and project coordinator. The CADET team provides extensive documentation including interface specifications and a developer guide, along with a moderated forum and regular international workshops. Robust software quality is maintained through continuous integration, deployment, and testing pipelines, complemented by an automated workflow for contributor license agreements. Computational results are stored along with comprehensive metadata, including model configurations and commit hashes, to ensure reproducibility in accordance with FAIR standards. The CADET team actively fosters sustainable development and a lively community, promoting best practices such as test-driven development. We are strongly committed to the FAIR4RS principles and encourage external contributions to further strengthen and expand CADET.

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