This directory contains the key data for exploring candidate pools etc. Provided are the key eigenspetra and variance (across kpca components) the candidate pools, shaken canididate pools (and equivalent files for the ranks of polymorphs by dressed energy) and additional shaken pool data used to test the number ofiterations needed for valid shaken pool calculations (size testing)

Please note: In any files here, 'basic' refers to the average kenrel construction. Further, any noted dimensionalities (e.g 2dim) include energy as a dimension - i.e 2 dim hull uses only one ML descriptor. In shaken pool files x_err corresponds to the assumed random error in energies (kJ/mol). 0_err therefore equates to unperturbed candidate pools. 
