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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!

Popular repositories Loading

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

    Workflow for creating and analyzing the Open Catalyst Dataset

    Python 104 32

  2. AdsorbML AdsorbML Public archive

    Corresponding dataset and tools for the AdsorbML manuscript.

    Jupyter Notebook 39 6

  3. ocpapi ocpapi Public archive

    Python 14 2

  4. om-data om-data Public

    Jupyter Notebook 12 2

  5. tutorial tutorial Public archive

    Tutorials on using OCP

    Jupyter Notebook 10 5

  6. odac-data odac-data Public archive

    Python 5 1

Repositories

Showing 9 of 9 repositories
  • cclib Public Forked from cclib/cclib

    Parsers and algorithms for computational chemistry logfiles

    Open-Catalyst-Project/cclib’s past year of commit activity
    Python 0 BSD-3-Clause 209 0 0 Updated Feb 6, 2025
  • om-data Public
    Open-Catalyst-Project/om-data’s past year of commit activity
    Jupyter Notebook 12 MIT 2 0 3 Updated Feb 6, 2025
  • Open-Catalyst-Dataset Public archive

    Workflow for creating and analyzing the Open Catalyst Dataset

    Open-Catalyst-Project/Open-Catalyst-Dataset’s past year of commit activity
    Python 104 MIT 32 1 0 Updated Feb 5, 2025
  • ocpapi Public archive
    Open-Catalyst-Project/ocpapi’s past year of commit activity
    Python 14 MIT 2 0 1 Updated Feb 5, 2025
  • odac-data Public archive
    Open-Catalyst-Project/odac-data’s past year of commit activity
    Python 5 MIT 1 0 1 Updated Feb 5, 2025
  • tutorial Public archive

    Tutorials on using OCP

    Open-Catalyst-Project/tutorial’s past year of commit activity
    Jupyter Notebook 10 5 2 1 Updated Feb 5, 2025
  • AdsorbML Public archive

    Corresponding dataset and tools for the AdsorbML manuscript.

    Open-Catalyst-Project/AdsorbML’s past year of commit activity
    Jupyter Notebook 39 MIT 6 3 0 Updated Feb 5, 2025
  • .github Public
    Open-Catalyst-Project/.github’s past year of commit activity
    0 0 0 0 Updated Feb 5, 2025
  • quacc Public Forked from Quantum-Accelerators/quacc

    quacc is a flexible platform for computational materials science and quantum chemistry that is built for the big data era.

    Open-Catalyst-Project/quacc’s past year of commit activity
    Python 0 BSD-3-Clause 54 0 0 Updated Nov 22, 2024

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