This directory contains the key data for the training and evaluation of a GPR model on the chlorpropamide system for energy prediction

Key subdirectories are:
 progressive training - for the (non cross-validated) training to establish the learning curves
 cross_validated - for the errors measured in cross validated treaining across the whole available structure set
 low_energy - for the errors measured in cross validated treaining across the different low energy subsets of the  whole available structure set




please note: 'basic' here refers to the average kernel

