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@aced-differentiate

Accelerated Computational Electrochemical-systems Discovery

This is the GitHub organization for the ARPA-E DIFFERENTIATE award with Carnegie Mellon University (lead), Julia Computing, Citrine Informatics, MIT.

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  1. EquivariantOperators.jl EquivariantOperators.jl Public

    Julia 19

  2. DeepUncertainty.jl DeepUncertainty.jl Public

    Uncertainty quantification for Deep Learning models in Julia.

    Julia 8

  3. auto_cat auto_cat Public

    Tools for automated structure generation of catalyst systems

    Python 6

  4. MHC_DOS MHC_DOS Public

    Generalized MHC kinetics for electrochemical interfaces.

    Jupyter Notebook 3 2

  5. GeometricFlux.jl GeometricFlux.jl Public

    Forked from FluxML/GeometricFlux.jl

    Geometric Deep Learning for Flux

    Julia 2

  6. dftparse dftparse Public

    Forked from CitrineInformatics/dftparse

    Simple parsers for DFT codes

    Python 2

Repositories

Showing 10 of 16 repositories
  • auto_cat Public

    Tools for automated structure generation of catalyst systems

    Python 6 MIT 0 9 2 Updated Mar 19, 2024
  • auto-electrocatalyst-discovery Public
    Python 0 MIT 0 0 0 Updated Mar 8, 2024
  • EquivariantOperators.jl Public
    Julia 19 MIT 0 0 0 Updated Sep 27, 2023
  • project-website Public Forked from uwsampa/research-group-web

    a template for research group sites

    HTML 0 418 0 0 Updated Aug 18, 2023
  • closed-loop-acceleration-benchmarks Public

    Data and scripts in support of the publication "By how much can closed-loop frameworks accelerate computational materials discovery?"

    Python 0 MIT 1 0 1 Updated Jul 25, 2023
  • dft-input-gen Public Forked from CitrineInformatics/dft-input-gen

    Python library to generate input files for DFT codes.

    Python 0 Apache-2.0 2 0 1 Updated Jul 25, 2023
  • battery-parameter-pipeline Public
    Jupyter Notebook 0 MIT 0 0 0 Updated Feb 19, 2023
  • DeepUncertainty.jl Public

    Uncertainty quantification for Deep Learning models in Julia.

    Julia 8 MIT 0 1 4 Updated Apr 9, 2022
  • www.julialang.org Public Forked from JuliaLang/www.julialang.org

    Julia Project website

    Julia 0 478 0 0 Updated Feb 18, 2022
  • pif-dft Public Forked from CitrineInformatics/pif-dft

    Tools for converting from DFT codes into PIF objects

    Python 0 Apache-2.0 10 0 0 Updated Nov 20, 2021
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