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@Open-Catalyst-Project

Open-Catalyst-Project

README.md

Open Catalyst Project (deprecated organization)

Using AI to model and discover new catalysts to address the energy challenges posed by climate change.

DEPRECATION NOTICE

We have moved all of code development to our new org Fair-Chem. The ocp ML model repository is now in fairchem.core.

Please see the new documentation website https://fair-chem.github.io/ for details on how to use:

  • the OCP/ODAC datasets
  • the OCP API
  • CatTsunami and AdsorbML
  • and more!

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  1. Open-Catalyst-Dataset Open-Catalyst-Dataset Public archive

    Workflow for creating and analyzing the Open Catalyst Dataset

    Python 112 33

  2. AdsorbML AdsorbML Public archive

    Corresponding dataset and tools for the AdsorbML manuscript.

    Jupyter Notebook 40 6

  3. om-data om-data Public

    Jupyter Notebook 15 4

  4. ocpapi ocpapi Public archive

    Python 14 2

  5. tutorial tutorial Public archive

    Tutorials on using OCP

    Jupyter Notebook 10 5

  6. odac-data odac-data Public archive

    Python 5 2

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