mordred.Polarizability module

class mordred.Polarizability.APol(use78=False)

Bases: mordred._polarizability.PolarizabilityBase

atomic polarizability descriptor.

Parameters:use78 (bool) – use old atomic polarizability data

explicit_hydrogens = True

gasteiger_charges = False

kekulize = False

require_connected = False

rtype

alias of float

class mordred.Polarizability.BPol(use78=False)

Bases: mordred._polarizability.PolarizabilityBase

bond polarizability descriptor.

Parameters:use78 (bool) – use old atomic polarizability data

explicit_hydrogens = True

gasteiger_charges = False

kekulize = False

require_connected = False

rtype

alias of float