Model

class mbgdml.models.Model(criteria=None)

A parent class for machine learning model objects.

md5

A property that creates a unique MD5 hash for the model. This is primarily only used in the creation of predict sets.

Type:

str

nbody_order

What order of \(n\)-body contributions does this model predict? This is easily determined by taking the length of component IDs for the model.

Type:

int

Parameters:

criteria (mbgdml.descriptors.Criteria, default: None) – Initialized descriptor criteria for accepting a structure based on a descriptor and cutoff.