rdkit.ML.ModelPackage.Packager.ModelPackage

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 x.__class__.__doc__ 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__`, `__getattribute__`, `__hash__`, `__new__`, `__reduce__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

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 x.__class__.__doc__ for signature
Overrides: object.__init__ (inherited documentation)