Jupyter notebook file to reproduce a regression model predicting hydrolysis rates of Bile Salts by BSH from Lactobacillus salivarius based on vdw/electrostatic interactions with the enzyme
- numpy 1.19.5
- pandas 1.1.5
- scikit-learn 0.23.2
- nglviewer 3.0.3
- MDAnalysis 1.1.1