Solutions
This directory contains 5 workflows.
01_Data Access and Transformation
01_Data Access and Transformation. This workflow fetches data from a database and does some preprocessing so that the data can be used for machine learning […]
02_Hyperparameter Optimization
This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the choice of features […]
02_Hyperparameter Optimization_Bonus
This workflow deploys an advanced parameter optimzation protocol with four machine learning methods. In this implementation the choice of features […]
03_Multiobjective Optimization
03_Multiobjective Optimization. This workflow demonstrates how to combine the prediction outcomes from several computational models to perform […]
04_Matched Molecular Pairs
04_Matched Molecular Pairs. This workflow demonstrates Matched Molecular Pairs (MMP) analysis on a dataset containing molecules that bind to the human […]