The repository Chemotion provides solutions for current challenges to store research data in a feasible manner. A main advantage of Chemotion is the comprehensive functionality, offering options to collect, prepare, and reuse data with discipline‐specific methods and data‐processing tools.
The Enabling FAIR Data project has brought together a broad spectrum of Earth, space, and environmental science leaders to ensure that data are findable, accessible, interoperable, and reusable.
openCARP is an open cardiac electrophysiology simulator, released to the community to advance the computational cardiology field by making state-of-the-art simulations accessible. It aims to achieve this by supporting self-driven learning. To this end, an online platform is available containing educational video tutorials, user and developer-oriented documentation, detailed examples, and a question-and-answer system. The software is written in C++. We provide binary packages, a Docker container, and a CMake-based compilation workflow, making the installation process simple. The software can fully scale from desktop to high-performance computers. openCARP runs nightly tests to ensure the consistency of the simulator based on predefined reference solutions, keeping a high standard of quality for all of its components. Additionally, sustainability is achieved through automated continuous integration to generate not only software packages, but also documentation and content for the community platform. Furthermore, carputils provides an environment for users to create complex, multi-scale simulations that are shareable and reproducible. In conclusion, openCARP is a tailored software solution for the scientific community in the cardiac electrophysiology field and contributes to increasing use and reproducibility of in-silico experiments.
<p>We describe the development of a repository for chemistry
research data (called Chemotion) that provides solutions for current challenges
to store research data in a feasible manner, allowing the conservation of
domain specific information in a machine readable format. A main advantage of
the repository Chemotion is the comprehensive functionality, which offers
options to collect, prepare and reuse data using discipline specific methods
and data processing tools. For selected analytical data, automated procedures
are implemented to facilitate the curation of the data. Chemotion provides
functions to facilitate the publishing process of data and the citation of the
deposited data. It supports automated Digital Object Identifier (DOI)
generation, the comparison of the submissions with PubChem instances, and
workflows for peer reviewing of the submissions including embargo settings. The
described developments were used to establish a research data infrastructure
that is hosted at the Karlsruhe Institute of Technology (KIT), including the
necessary storage and support to build a new community-driven repository as a
comprehensive alternative to commercial databases. </p>
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