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PSDI & Royce Materials Data Summit

29–31 Jul 2026
Nancy Rothwell Building, University of Manchester, Manchester, UK
Europe/London timezone

Conference organisers

Data analysis workflows, reproducibility and sharing with RO-Crate in Materials Galaxy

29 Jul 2026, 12:00
2h 15m
2A.034

2A.034
Tutorial (invited) Tutorial Room 1 Tutorials

Description

This tutorial introduces the Research Crate Object (RO-Crate), Galaxy and reproducible workflows in Materials Science. We begin with RO-Crate and applications in research, narrowing the scope to Materials. Moving to the practical element of the tutorial, we demonstrate usage of RO-Crates by reproducible workflows on the Galaxy platform with Materials Galaxy where participants will create, run, share, and inspect workflows in Materials Galaxy.

Instructors

  • eScience Lab, the University of Manchester
  • Materials Galaxy, Cardiff University; Science and Technology Facilities Council (STFC)

Requirements

To follow along with this session you will need to bring your own device, preferably a laptop.

Reading and setup

Reading

  1. The following presentation will provide an introduction to the Galaxy user interface and motivation for using Galaxy
  2. This material provides a brief introduction to working with RO-Crates in Galaxy, please note this material forms the basis of one of the practical parts of the tutorial

Setup

In advance to the workshop participants should:

  1. Register for an account on Materials Galaxy. The following tutorial can be used as a guide to signing up, however, please note that the Galaxy Platform you are signing up to is Materials Galaxy
  2. Download the required tutorial materials from Zenodo
  3. Verify they can access the tutorial pages for each section (the materials will be used to instruct during the tutorial): Importing and Running a workflow, Creating an RO-Crate, Importing an RO-Crate

Timetable

12:30 - 12:50: RO-Crate

  • Introduction to Research Object Crate (RO-Crate)
  • RO-Crate applications in Materials Science

12:50 - 13:45: Materials Galaxy

  • Importing a workflow and dataset, running the workflow, and exporting the workflow run as an RO-Crate in Materials Galaxy
  • Retrieving and inspecting the RO-Crate in Materials Galaxy
  • Running the RO-Crate and comparing the results to demonstrate reproducibility

13:45 - 14:00: Break

14:00 - 14:45: Materials Galaxy

  • Providing guidelines on annotation and publishing to Zenodo/Invenio
    for long‑term preservation
  • Accessing and inspecting workflows in WorkflowHub
  • CDIF-4-XAS

Presentation materials

There are no materials yet.