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Pillar 2 - Exascale Workflows

Bringing workflows to exscale

Feb 9, 2021

Learn more about the NOMAD Artificial Intelligence Toolkit


Learn more on the NOMAD Artificial Toolkit on the website of the NOMAD tutorials!

https://th.fhi-berlin.mpg.de/meetings/nomad-tutorials/index.php?n=Meeting.Tutorial3

In several introductory videos we introduce the functionalities of the NOMAD AI Toolkit, the web-based framework for querying, filtering, and perform AI analysis on the data contained in the NOMAD Archive. The user interface is based on the jupyter notebook environment, which is becoming increasingly popular in scientific research. All showcase notebooks are written in Python (for the data analytics).

The videos that are available on the website cover the following topics:

  • how to transfer a search done via the Archive GUI into a jupyter notebook
  • how to perform queries within the AI-Toolkit jupiter notebooks, via the NOMAD API
  • how to perform exploratory analysis of the retrieved data, including unsupervised machine learning
  • how to visualize the results of the analysis in interactive plots and produce transparency/paper-quality images.