This directory contains the key data for the machine learning of energies using various kernels

Key subdirectories are:

Large Training - for the data on the GPR training using a large chlorpropamide structure set
Small_Training - for the data exploring use of GPR to predict the energies of Targets 31, Target 32, and Chlropropamide - using very small structure sets

please note: as in other files in the wider dataset, 'basic' refers to the average kernel
