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Achievements

Achievement: Starstruckx2Achievement: Pull SharkAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Starstruckx2Achievement: Pull SharkAchievement: Arctic Code Vault Contributor

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@LLNL @mkite-group @digital-synthesis-lab

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  • quests Public

    Quick Uncertainty and Entropy via STructural Similarity

    Python 30 3 BSD 3-Clause "New" or "Revised" License Updated Jan 8, 2025

  • dotfiles Public

    @dskoda's dotfiles

    JavaScript MIT License Updated Dec 18, 2024

  • ML-Coverage Public

    Data to reproduce the paper: "Comprehensive sampling of coverage effects in catalysis by leveraging generalization in neural network models"

    Jupyter Notebook BSD 3-Clause "New" or "Revised" License Updated Nov 11, 2024

  • Zeolites-AMD Public

    Data and code to reproduce the article: "Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances"

    Jupyter Notebook 1 Other Updated Aug 30, 2024

  • 2024-UChicago-AI-Science Public

    Tutorials for the UChicago AI + Science Summer School 2024 (July 17, 2024)

    Jupyter Notebook 10 2 BSD 3-Clause "New" or "Revised" License Updated Jul 16, 2024

  • llnl.github.io Public

    Forked from LLNL/llnl.github.io

    Public home for LLNL software catalog

    JavaScript MIT License Updated Apr 28, 2023

  • Atomistic-Adversarial-Attacks Public

    Forked from learningmatter-mit/Atomistic-Adversarial-Attacks

    Code for performing adversarial attacks on atomistic systems using NN potentials

    Python MIT License Updated Jan 24, 2023

  • final-project-atomistic-uncertainty Public

    Forked from 6859-sp21/final-project-atomistic-uncertainty

    https://6859-sp21.github.io/final-project-atomistic-uncertainty/

    JavaScript Updated Mar 17, 2022

  • xyz2mol Public

    Forked from jensengroup/xyz2mol

    Converts and xyz file to an RDKit mol object

    Python MIT License Updated May 16, 2020

  • smceramics Public archive

    ZrO2 shape memory ceramics

    Jupyter Notebook Updated May 14, 2020