The aim of the thesis is to design and develop a proof-of-concept interface for a data repository of molecular dynamics (MD) datasets. As part of the work, a user interface design will be created in Figma and subsequently implemented as a web application built with React and TypeScript.

The development will focus on:

• designing and implementing the repository homepage,

• displaying and enabling search and filtering of the list of data records,

• providing an interface for interactive data deposition using forms,

• components for filtering search results and repository records based on a defined metadata schema,

• containerization of the user interface,

• preparing the solution for easy deployment to the e-INFRA CZ cloud infrastructure.

The solution will be based on the API, and model architecture of the open-source system InvenioRDM, which is also used by the general-purpose data repository Zenodo operated by CERN. The thesis will focus on adapting the general repository to the needs of the molecular dynamics domain and creating a modern, visually attractive design that subtly reflects the life-science orientation of the project.