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parse_csv.ipynb = Converts training and test data csvs to "ML-ready" state.
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modeling.ipynb = Trains a random forest model on the data.
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reformat_predictions.ipynb = Converts the classifier predictions back into the original vector format.
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compare_with_dft.ipynb = Compare predicted values with DFT labeled data.
data = Training and test data.
figures = Analysis figures (ROC and PR curves).