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Exploring MCA AiiDA archives on RenkuLab v2

This repository contains the necessary infrastructure to explore AiiDA archives from Materials Cloud Archive via RenkuLab v2:

data

  • Empty directory with .gitkeep, to which the archive file will be downloaded when the RenkuLab session is started

notebooks/explore.ipynb

  • Startup notebook

startup.sh

  • Startup script that calls post-init.sh and the jupyter server

post-init.sh

  • Archive download and AiiDA profile creation

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Files for the integration between AiiDA archives hosted on Materials Cloud Archive and Renku v2

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