mordred.DistanceMatrix module

class mordred.DistanceMatrix.DistanceMatrix(type='SpMax')[source]

Bases: mordred._base.descriptor.Descriptor

distance matrix descriptor.

Parameters:type (str) – Matrix aggregating methods
explicit_hydrogens = False
parameters()[source]
rtype

alias of float

as_argument

argument representation of descriptor

coord

get 3D coordinate

fail(exception)

raise known exception and return missing value

kekulize = False
mol

get molecule

require_3D = False
require_connected = False
rethrow_na(exception)

treat any exceptions as known exception

rethrow_zerodiv()

treat zero div as known exception