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  • blog Public

    Updated Sep 11, 2024

  • mnt-curn-llm Public

    shared repository for MNT-CURN 2024 project

    Jupyter Notebook 1 Updated Jul 25, 2024

  • kat Public

    a collection of helpful scripts for high-throughput dft

    Python Updated Jul 23, 2024

  • atomate2 Public

    Forked from materialsproject/atomate2

    atomate2 is a library of computational materials science workflows

    Python Other Updated Jul 3, 2024

  • macOS-setup Public

    Forked from aerithnetzer/My_MacOS_Setup

    kat's macOS setup

    Ruby Updated Jun 21, 2024

  • code-assist-workshop Public

    This workshop will teach students how to use large language models as coding assistants through web-based chatbots, editor-integrated chatbots, and a langchain-based system hosted on nanoHUB

    Jupyter Notebook Updated Apr 12, 2024

  • elastic-dft-qe Public

    a nanoHUB tool for the calculation of elastic constants with quantum espresso

    Jupyter Notebook 1 Updated Apr 10, 2024

  • vsco-tero Public

    an unholy blend of vscode and zotero for literature review

    Python 1 Updated Mar 13, 2024

  • zsa-blog Public

    Updated Feb 22, 2024

  • doc2md Public

    bidirectional conversion of docx <-> markdown

    Python 1 Updated Feb 20, 2024

  • katnykiel.github.io Public

    katnykiel's personal site

    2 MIT License Updated Feb 6, 2024

  • vasp_ingestor Public

    Convert an atomate2 TaskDocument of VASP data to an interpretable set of features

    Jupyter Notebook Updated Feb 2, 2024

  • gnn-gui Public

    A visualization tool for graph neural networks in materials science

    Python 1 1 Updated Dec 10, 2023

  • mxene-point-defects-workflow Public

    Jupyter Notebook 1 Updated Dec 1, 2023

  • ece-570-project Public

    semi-supervised learning for materials informatics

    Jupyter Notebook Updated Nov 21, 2023

  • crystal-viewer Public

    An (eventual) VSCode extension to view VASP, CIF, and Quantum ESPRESSO input crystal structures

    Python 5 Updated Nov 2, 2023

  • katnykiel Public

    kat's github profile readme

    Updated Oct 24, 2023

  • qe_workflow Public

    quantum espresso workflow for nanoHUB

    Jupyter Notebook 1 Updated Oct 6, 2023

  • network-graph Public

    Jupyter Notebook Updated Aug 1, 2023

  • bedwars-game-theory Public

    some analysis on this quirky game called bedwars

    Python Updated Jun 19, 2023

  • boltzmann_machine Public

    nanoHUB tool to run monte carlo ising models and train boltzmann machines

    Jupyter Notebook Updated Nov 1, 2022

  • atomate2_concept Public

    Jupyter Notebook Updated Sep 30, 2022

  • docs Public

    rtd documentation for projects

    Python Updated Jun 10, 2022