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

Class ModelPackage

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)

Class ModelPackage

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

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