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Kulik Group

Heather Kulik research group

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  1. molSimplify molSimplify Public

    molSimplify code

    Python 176 48

  2. MOFSimplify MOFSimplify Public

    The MOF website for property prediction and community engagement.

    C++ 29 6

  3. MultirefPredict MultirefPredict Public

    Automated workflow to predict multireference character of molecules in quantum chemistry calculation

    Python 20 7

  4. text_mining_tools text_mining_tools Public

    Tools to facilitate NLP of scientific literature

    Python 16 3

  5. SESAMI_web SESAMI_web Public

    The interface to the SESAMI analysis tools

    Python 6 2

  6. dfa_recommender dfa_recommender Public

    Jupyter Notebook 4 1

Repositories

Showing 10 of 18 repositories
  • pydentate Public

    Graph neural networks for predicting metal-ligand coordination of transition metal complexes

    hjkgrp/pydentate’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jan 26, 2025
  • molSimplify Public

    molSimplify code

    hjkgrp/molSimplify’s past year of commit activity
    Python 176 GPL-3.0 48 7 0 Updated Jan 25, 2025
  • starter-hugo-research-group Public

    Hugo research group website

    hjkgrp/starter-hugo-research-group’s past year of commit activity
    TeX 1 MIT 1 0 0 Updated Jan 23, 2025
  • molSimplifyConda Public

    Conda repo for installing molSimplify

    hjkgrp/molSimplifyConda’s past year of commit activity
    Batchfile 1 0 0 0 Updated Jan 14, 2025
  • jobmanager Public
    hjkgrp/jobmanager’s past year of commit activity
    Python 1 GPL-3.0 0 6 1 Updated Jan 8, 2025
  • MOFSimplify Public

    The MOF website for property prediction and community engagement.

    hjkgrp/MOFSimplify’s past year of commit activity
    C++ 29 MIT 6 0 0 Updated Nov 19, 2024
  • dfa_recommender Public
    hjkgrp/dfa_recommender’s past year of commit activity
    Jupyter Notebook 4 BSD-3-Clause 1 0 0 Updated Nov 2, 2024
  • many_body_ml Public
    hjkgrp/many_body_ml’s past year of commit activity
    Jupyter Notebook 1 MIT 0 0 0 Updated Sep 13, 2024
  • SESAMI_web Public

    The interface to the SESAMI analysis tools

    hjkgrp/SESAMI_web’s past year of commit activity
    Python 6 MIT 2 0 0 Updated Jan 19, 2024
  • molscontrol Public
    hjkgrp/molscontrol’s past year of commit activity
    Python 1 MIT 0 0 0 Updated May 9, 2023
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