Awesome

JCIM-ALNoise

This code accompaines the manuscript "Active learning for drug design in noisy environments".

The experiements can be run using the files real_data_experiment.py and simulated_data_experiment.py. The file real_data_experiment-par.py performs the same task as real_data_experiment.py but uses parralisation.

The files real_data_results.py and simulated_data_results.py can be used to make the graphs seen in the manuscript.