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@McCoyGroup

McCoy Group

We study large amplitude molecular motions. Check out our References project for more info.
README.md

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The McCoy Group at the University of Washington studies large-amplitude vibrations using the tools of quantum chemistry. Check out the official group website for more information. We also have a series of references and exercies to help people get started and you can check out our repositories to get a better sense for what we do.

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  1. PyVibPTn PyVibPTn Public

    A package for doing vibrational perturbation theory

    Python

  2. pyvibdmc pyvibdmc Public

    Forked from rjdirisio/pyvibdmc

    A general purpose library to study vibrational problems using diffusion monte carlo

    Python

  3. References References Public

    Collection of Markdown tutorials and other documentation

    Mathematica 1 5

  4. PyDVR PyDVR Public

    A python DVR implementation

    Python 4 4

  5. tensorflow-mpi-container tensorflow-mpi-container Public

    Base container with tensorflow and MPI so we don't need to keep rebuilding MPI

    Dockerfile

  6. McEnv McEnv Public

    Simple docker env for consistent code eval

    Python

Repositories

Showing 10 of 31 repositories
  • Psience Public

    nerds luv psience

    McCoyGroup/Psience’s past year of commit activity
    Python 4 MIT 2 1 0 Updated Apr 2, 2025
  • McUtils Public

    Utility packages and classes

    McCoyGroup/McUtils’s past year of commit activity
    Python 0 MIT 4 0 0 Updated Apr 1, 2025
  • ionic_water_mobml-nn_potential Public

    This is the GitHub repo to support the manuscript "Machine Learning Approaches for Developing Potential Surfaces: Applications to OH−(H2O)n (n = 1 − 3) Complexes"

    McCoyGroup/ionic_water_mobml-nn_potential’s past year of commit activity
    Jupyter Notebook 0 Apache-2.0 0 0 0 Updated Mar 14, 2025
  • pyvibdmc Public Forked from rjdirisio/pyvibdmc

    A general purpose library to study vibrational problems using diffusion monte carlo

    McCoyGroup/pyvibdmc’s past year of commit activity
    Python 0 MIT 4 0 0 Updated Sep 26, 2024
  • .github Public
    McCoyGroup/.github’s past year of commit activity
    0 0 0 0 Updated Sep 6, 2024
  • References Public

    Collection of Markdown tutorials and other documentation

    McCoyGroup/References’s past year of commit activity
    Mathematica 1 5 0 3 Updated Sep 1, 2023
  • Peeves Public

    Mini-CI package: simplified test running + generation of documentation

    McCoyGroup/Peeves’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Aug 4, 2023
  • PyVibPTn Public

    A package for doing vibrational perturbation theory

    McCoyGroup/PyVibPTn’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Oct 6, 2022
  • finx Public Forked from b3m2a1/finx

    simple Jekyll theme

    McCoyGroup/finx’s past year of commit activity
    JavaScript 0 2 0 0 Updated Aug 30, 2022
  • Binder-McUtils Public

    Provides a binder environment for McUtils

    McCoyGroup/Binder-McUtils’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated May 7, 2022
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