The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction

The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction

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The Materials Simulation Toolkit for Machine Learning (MAST-ML): Automating Development and Evaluation of Machine Learning Models for Materials Property Prediction

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  1. 1 The Materials Simulation Toolkit for Machine Learning
  2. 2 Tutorial 1: Getting Started with MAST-ML
  3. 3 Tutorial 2: Data Import and Cleaning
  4. 4 Tutorial 3: Feature Engineering
  5. 5 Tutorial 4: Models and Data Splitting Tests
  6. 6 Tutorial 5: Left out data, nested cross validation, and optimized models
  7. 7 Tutorial 6: Model error analysis and uncertainty quantification
  8. 8 Questions

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