More on descriptors¶
It is often useful to examine your fingerprints more closely. There is a utility that can help with that, an example of its use is below. This assumes you have open a calculator called “calc.amp” and you want to examine the fingerprint ranges for your training data.
from ase import io from amp.descriptor.analysis import FingerprintPlot from amp import Amp calc = Amp.load('calc.amp') images = io.read('training.traj', index=':') fpplot = FingerprintPlot(calc) fpplot(images)
This will create a plot that looks something like below, here showing the fingerprint ranges for the specified element.
You can also overlay a specific image’s fingerprint on to the fingerprint plot by using the overlay keyword when calling fpplot.