mordred.AdjacencyMatrix module

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

Bases: mordred._base.descriptor.Descriptor

adjacency matrix descriptor.

Parameters

type (str) – Matrix aggregating methods

since = StrictVersion ('1.0')
explicit_hydrogens = False
description()[source]
rtype

alias of builtins.float

config
classmethod from_json(obj)

Create Descriptor instance from json dict.

Parameters

obj (dict) – descriptor dict

Returns

descriptor

Return type

Descriptor

get_3D_mol()
get_parameter_dict()
kekulize = False
parameter_names = ('type',)
require_3D = False
require_connected = False
to_json()

Convert to json serializable dictionary.

Returns

dictionary of descriptor

Return type

dict