dataprofessor / beta-lactamase

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Update the README, add jupyter notebook with EDA, fingerprint calculations, and binary calssifiers, and include fingerprint data #4

Closed sayalaruano closed 1 year ago

sayalaruano commented 3 years ago

Update README, add Jupyter notebook with EDA, fingerprints calculation, and machine learning models for binary classification, including logistic regression, random forest, and XGBoost. Also, I created a data folder with the original dataset, a zip file with data of 10 fingerprints, and a zip file with XML files of fingerprints.