XChem is an established, high-throughput pipeline offered to Diamond users (academic and industrial) for the screening of small molecules for drug discovery.
Central to the XChem platform is SoakDB which is a frontend interface to the SQLite experimental database that allows for designing and executing the lab-based side of XChem. SoakDB is an Excel-based program coded in VBA - it is a critical piece of code packed in a non-optimal envelope. ISPyB is the experimental database for synchrotron beamlines and electron microscopy which runs on a MariaDB cluster. ISPyB is part of the established Diamond software environment and as such is supported and developed, SoakDB is not.
This project involves working with the ISPyB and XChem teams to integrate SoakDB functionality into the ISPyB database and existing Diamond software infrastructure. You would work with a modern JavaScript frontend and PHP backend to develop a fully functional user interface. The aim being to make SoakDB and the platform future proof and less vulnerable allowing us to incorporate developing beamline technologies into our platform and enhance the user experience. This software development will form the foundations for future development of SoakDB and reflects the standard of software development in industry.
Diamond Light Source is the UK's national synchrotron science facility, located at the Harwell Science and Innovation Campus in Oxfordshire.
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