chemicalchecker.util.splitter.globalneighbortriplets

Sample triplets globally and do a train-test split globally.

Note

THIS IS UNDER DEVELOPMENT. IT WAS INTENDED TO BE USED IN THE PRE-TRAINING OF AN ACCEPTABLE SIGN3 ACROSS THE CC, BUT WE FINALLY DIDN’T USE IT TOO EXTENSIVELY.

Classes

GlobalNeighborTripletTraintest