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Kulik Group

Heather Kulik research group

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  1. molSimplify molSimplify Public

    molSimplify code

    Python 204 54

  2. MOFSimplify MOFSimplify Public

    The MOF website for property prediction and community engagement.

    C++ 38 6

  3. MultirefPredict MultirefPredict Public

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

    Python 23 7

  4. text_mining_tools text_mining_tools Public

    Tools to facilitate NLP of scientific literature

    Python 17 4

  5. SESAMI_web SESAMI_web Public

    The interface to the SESAMI analysis tools

    Python 9 3

  6. dfa_recommender dfa_recommender Public

    Jupyter Notebook 4 1

Repositories

Showing 10 of 20 repositories
  • pyEF Public

    Package for the calculating electric fields and ESP in molecular systems.

    hjkgrp/pyEF’s past year of commit activity
    Python 3 MIT 2 4 0 Updated Dec 30, 2025
  • molSimplify Public

    molSimplify code

    hjkgrp/molSimplify’s past year of commit activity
    Python 204 GPL-3.0 54 3 0 Updated Dec 10, 2025
  • starter-hugo-research-group Public

    Hugo research group website

    hjkgrp/starter-hugo-research-group’s past year of commit activity
    TeX 2 MIT 1 0 1 Updated Dec 5, 2025
  • jobmanager Public
    hjkgrp/jobmanager’s past year of commit activity
    Python 1 GPL-3.0 0 7 1 Updated Nov 6, 2025
  • hfx_rec Public
    hjkgrp/hfx_rec’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Oct 29, 2025
  • MOFSimplify Public

    The MOF website for property prediction and community engagement.

    hjkgrp/MOFSimplify’s past year of commit activity
    C++ 38 MIT 6 0 0 Updated Oct 24, 2025
  • pydentate Public

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

    hjkgrp/pydentate’s past year of commit activity
    Jupyter Notebook 4 MIT 1 0 0 Updated Oct 17, 2025
  • molSimplifyConda Public

    Conda repo for installing molSimplify

    hjkgrp/molSimplifyConda’s past year of commit activity
    Batchfile 1 0 0 0 Updated Jul 24, 2025
  • SESAMI_web Public

    The interface to the SESAMI analysis tools

    hjkgrp/SESAMI_web’s past year of commit activity
    Python 9 MIT 3 0 0 Updated May 1, 2025
  • 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
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