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@Open-Catalyst-Project

Open-Catalyst-Project

README.md

Open Catalyst Project

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

BREAKING CHANGES

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

Popular repositories Loading

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

    Workflow for creating and analyzing the Open Catalyst Dataset

    Python 93 32

  2. AdsorbML AdsorbML Public

    Corresponding dataset and tools for the AdsorbML manuscript.

    Jupyter Notebook 37 5

  3. ocpapi ocpapi Public

    Python 14 2

  4. om-data om-data Public

    Jupyter Notebook 12 2

  5. tutorial tutorial Public

    Tutorials on using OCP

    Jupyter Notebook 10 5

  6. odac-data odac-data Public

    Python 3 1

Repositories

Showing 8 of 8 repositories
  • om-data Public
    Open-Catalyst-Project/om-data’s past year of commit activity
    Jupyter Notebook 12 MIT 2 0 5 Updated Nov 11, 2024
  • 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 50 0 0 Updated Jun 18, 2024
  • odac-data Public
    Open-Catalyst-Project/odac-data’s past year of commit activity
    Python 3 MIT 1 0 1 Updated Jun 17, 2024
  • Open-Catalyst-Dataset Public

    Workflow for creating and analyzing the Open Catalyst Dataset

    Open-Catalyst-Project/Open-Catalyst-Dataset’s past year of commit activity
    Python 93 MIT 32 1 0 Updated Jun 14, 2024
  • .github Public
    Open-Catalyst-Project/.github’s past year of commit activity
    0 0 0 0 Updated May 7, 2024
  • AdsorbML Public

    Corresponding dataset and tools for the AdsorbML manuscript.

    Open-Catalyst-Project/AdsorbML’s past year of commit activity
    Jupyter Notebook 37 MIT 5 3 1 Updated May 7, 2024
  • ocpapi Public
    Open-Catalyst-Project/ocpapi’s past year of commit activity
    Python 14 MIT 2 0 1 Updated May 7, 2024
  • tutorial Public

    Tutorials on using OCP

    Open-Catalyst-Project/tutorial’s past year of commit activity
    Jupyter Notebook 10 5 2 1 Updated Feb 27, 2024

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