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Chaste: developing sustainable software for computational biology

Lead Research Organisation: University of Oxford
Department Name: Computer Science

Abstract

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Technical Summary

Chaste is an open-source framework for the simulation of computational models in biology. Chaste provides modules for handling common scientific computing components, such as meshes and solvers for ordinary/partial differential equations, as well as agent-based and multiscale simulations. Re-use of these components avoids the need for researchers to 'reinvent the wheel' with each new project, accelerating the rate of progress in new applications by providing robust, well-documented and continuously tested libraries. Chaste comprises ~500k lines of C++ code and is freely available under a BSD license.

Since its inception in 2005, Chaste has been downloaded >5,000 times by academic and industrial research groups in >50 countries, and has facilitated a large number of leading scientific studies in areas including cardiac electrophysiology, drug safety assessment, cancer biology, and developmental biology.

Since 2015, Chaste has evolved from being developed primarily within a single institution to being multi-institutional, with multinational contributors. However, at a time when the need for robust software for computational approaches biology is urgent and there is an avalanche of high-quality experimental data requiring modelling to fully interpret, we lack dedicated software development funding to fully realise Chaste's potential uptake by the scientific community as a multiscale, multicellular modelling tool. To this end, we propose to hire research software engineers to complete the following objectives:

1. extend existing functionality for multiscale modelling of multicellular populations;
2. upgrade and future-proof our software development infrastructure;
3. improve the interoperability of our software platform;
4. lower barriers to usage and increase community engagement.

The resulting computational tool and associated infrastructure and training resources will be made freely available and will drive forward computational modelling in biology.

Publications

10 25 50
 
Description Excellence in research software engineering is critical in gaining user traction
Exploitation Route By using the software (see URLs above)
Sectors Digital/Communication/Information Technologies (including Software)

Education

Healthcare

Pharmaceuticals and Medical Biotechnology

URL https://github.com/pints-team/pints
 
Description The software is widely used in industry and by regulatory bodies
First Year Of Impact 2022
Sector Digital/Communication/Information Technologies (including Software),Education,Healthcare,Pharmaceuticals and Medical Biotechnology
Impact Types Societal

Economic

 
Title Chaste upgrade 
Description Porting of Chaste to Github is nearing completion - see https://github.com/Chaste. 
Type Of Material Improvements to research infrastructure 
Year Produced 2022 
Provided To Others? Yes  
Impact None yet - this is the first phase. 
URL https://github.com/Chaste
 
Description Cancer modelling 
Organisation University of Oxford
Department Mathematical Institute Oxford
Country United Kingdom 
Sector Academic/University 
PI Contribution Chaste continues to underpin multiple projects. This year we have worked with groups in the Mathematical Institute in Oxford.
Collaborator Contribution tHE SOFTWARE IS BEING USED IN CANCER MODELLIN AND OUR GROUP HAVE JUST BEEN ASKED TPO PROVIDE FURETHER SUPPORT. We will meet with the team from Maths this week.
Impact Not yet
Start Year 2023