Name		Name	Last commit message	Last commit date
PDP		PDP
data		data
model		model
plot		plot
raw_data		raw_data
.gitignore		.gitignore
.png		.png
0_data_cleaning.py		0_data_cleaning.py
1_model_xgb_HPsearch.py		1_model_xgb_HPsearch.py
2_training.py		2_training.py
3_test.py		3_test.py
4_shap.py		4_shap.py
5_visualization.py		5_visualization.py
README.md		README.md

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xe_diffusion_xgb

ML model to predict diffusion coefficients

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ML model to predict diffusion coefficients

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