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Commit 496e714c authored by s1737494's avatar s1737494
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Update outline.md

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### Trying out MACE
- Introduce MACE Jupyter notebook
- Going through training parameters and dataset
- Start with running first cell to installe mace and required packages
- Then make sure to set the cwd to where all the files are
- Going through training parameters and dataset
- Inputs and fileformats
- Running it once with the default settings and compare with a GAP (Gaussian Approximation Potential ) that was trained on the same data
- Change some hyper parameters and training again
- Importance of hyperparameters
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