Package rdkit :: Package ML :: Package ModelPackage :: Module Packager :: Class ModelPackage
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Class ModelPackage

source code

object --+
         |
        ModelPackage

a container class to package a composite model with a descriptor
calculator so that objects needing predictions (compounds, molecules, etc.)
can be passed directly in without worrying about generating descriptors

Instance Methods [hide private]
 
__init__(self, descCalc=None, model=None, dataSet=None, notes='')
x.__init__(...) initializes x; see help(type(x)) for signature
source code
 
SetCalculator(self, calc) source code
 
GetCalculator(self) source code
 
SetModel(self, model) source code
 
GetModel(self) source code
 
SetDataset(self, data) source code
 
GetDataset(self) source code
 
SetNotes(self, notes) source code
 
GetNotes(self) source code
 
SetSupplementalData(self, suppD) source code
 
GetSupplementalData(self) source code
 
AddSupplementalData(self, data) source code
 
Classify(self, obj, label='', threshold=0) source code
 
Init(self) source code

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Properties [hide private]

Inherited from object: __class__

Method Details [hide private]

__init__(self, descCalc=None, model=None, dataSet=None, notes='')
(Constructor)

source code 
x.__init__(...) initializes x; see help(type(x)) for signature

Overrides: object.__init__
(inherited documentation)