mordred.BaryszMatrix module

class mordred.BaryszMatrix.BaryszMatrix(prop='Z', type='SpMax')

Bases: mordred._barysz_matrix.BaryszMatrixBase

barysz matrix descriptor.

Parameters:

• prop (str or function) – atomic properties
• type (str) – Matrix aggregating methods

Returns:

NaN when any properties are NaN

explicit_hydrogens = False

gasteiger_charges

kekulize = False

require_connected = False

rtype

alias of float