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