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  1. mlp_tutorial mlp_tutorial Public

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  2. qed-tddft qed-tddft Public

    Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis

    Python 14 5

  3. Tutorials Tutorials Public

    Introductions to AlphaFold, RoseTTAFold, and OmegaFold covered in the course CHEM5570-100 at the University of Oklahoma

    Jupyter Notebook 11 1

  4. pyscf pyscf Public

    Python 3 2

  5. Neural_Network Neural_Network Public

    Predicting atomization energies of organic molecules with DNN

    Python

  6. research_movies research_movies Public

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  • eo-tda Public
    cc-ats/eo-tda’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Sep 28, 2024
  • Tutorials Public

    Introductions to AlphaFold, RoseTTAFold, and OmegaFold covered in the course CHEM5570-100 at the University of Oklahoma

    cc-ats/Tutorials’s past year of commit activity
    Jupyter Notebook 11 1 0 0 Updated Dec 8, 2023
  • mlp_tutorial Public
    cc-ats/mlp_tutorial’s past year of commit activity
    Jupyter Notebook 24 13 0 0 Updated Nov 10, 2023
  • physical_unit_conversion Public
    cc-ats/physical_unit_conversion’s past year of commit activity
    Python 0 0 0 0 Updated Sep 28, 2023
  • qed-tddft Public

    Quantum-electrodynamical Time-dependent Density Functional Theory Within Gaussian Atomic Basis

    cc-ats/qed-tddft’s past year of commit activity
    Python 14 5 0 0 Updated Sep 15, 2023
  • edc Public

    Electron density change visualization

    cc-ats/edc’s past year of commit activity
    Python 0 0 0 0 Updated May 5, 2022
  • machine_learning_example Public
    cc-ats/machine_learning_example’s past year of commit activity
    Python 0 0 0 0 Updated Jul 2, 2021
  • deepmd-kit Public Forked from deepmodeling/deepmd-kit

    A deep learning package for many-body potential energy representation and molecular dynamics

    cc-ats/deepmd-kit’s past year of commit activity
    C++ 0 LGPL-3.0 524 0 0 Updated Feb 3, 2021
  • pyscf Public
    cc-ats/pyscf’s past year of commit activity
    Python 3 Apache-2.0 2 0 0 Updated Jan 29, 2021
  • JuQC.jl Public

    Julia Quantum Chemistry Package

    cc-ats/JuQC.jl’s past year of commit activity
    Julia 0 0 0 0 Updated Jan 18, 2021
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