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UW-Madison Computational Materials Group

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  1. MAST-ML MAST-ML Public

    MAterials Simulation Toolkit for Machine Learning (MAST-ML)

    Jupyter Notebook 113 61

  2. perovskite-oxide-stability-prediction perovskite-oxide-stability-prediction Public

    code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite compounds

    Python 26 18

  3. MAST MAST Public

    MAterials Simulation Toolkit for use with pymatgen

    Python 17 8

  4. MAST-SEY MAST-SEY Public

    Monte Carlo Modeling of Secondary Electron Emission using fully DFT input

    C++ 13 2

  5. MoleProp MoleProp Public

    Jupyter Notebook 12 3

  6. MATLAB-loop-detection MATLAB-loop-detection Public

    MATLAB 8 4

Repositories

Showing 10 of 69 repositories
  • MAST-ML Public

    MAterials Simulation Toolkit for Machine Learning (MAST-ML)

    Jupyter Notebook 113 MIT 61 22 10 Updated Mar 18, 2025
  • RPV_model_Jacobs23 Public

    Ensemble neural network model for predicting RPV embrittlement temperature shifts

    Jupyter Notebook 0 0 0 2 Updated Mar 11, 2025
  • RPV_model_benchmarking Public

    Benchmarking and analysis of different models of reactor pressure vessel steel embrittlement

    0 0 0 0 Updated Mar 6, 2025
  • cavity_defect_detection Public

    Mask R-CNN model to detect cavity defects in electron microscopy image. Also included is a random forest model to predict the detection F1 score as a measure of prediction performance

    Jupyter Notebook 0 0 0 0 Updated Dec 13, 2024
  • MoleProp Public
    Jupyter Notebook 12 MIT 3 0 0 Updated Sep 10, 2024
  • RPV_model Public

    Ensemble neural network model for predicting transition temperature shifts of RPV alloys

    PureBasic 1 0 0 2 Updated Aug 2, 2024
  • materials_application_domain_machine_learning Public Forked from leschultz/materials_application_domain_machine_learning

    A package for definining the domain of a machine learning model via a feature dissimilarity metric.

    Python 1 2 0 0 Updated Jul 10, 2024
  • multilearn Public Forked from leschultz/multilearn

    Pytorch wrapper for multi-task learning

    Python 0 MIT 1 0 0 Updated Jun 4, 2024
  • material_error_bar_predictions Public

    Vidit's work on error bar predictions.

    Python 0 0 0 0 Updated Apr 9, 2024
  • model_perovskite_Opband Public

    Random forest model to predict the O 2p-band center of perovskite oxides

    Python 0 0 0 0 Updated Apr 2, 2024
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