rdkit.ML.ModelPackage.Packager module — The RDKit 2016.09.1 documentation

# rdkit.ML.ModelPackage.Packager module

exception `rdkit.ML.ModelPackage.Packager.` `ClassificationError`

  Bases: `Exception`

  used to signal problems generating predictions

exception `rdkit.ML.ModelPackage.Packager.` `DescriptorCalculationError`

  Bases: `Exception`

  used to signal problems generating descriptor values

class `rdkit.ML.ModelPackage.Packager.` `ModelPackage`(descCalc=None, model=None, dataSet=None, notes='')

  Bases: `object`

  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

  `AddSupplementalData`(data)
  `Classify`(obj, label='', threshold=0)
  `GetCalculator`()
  `GetDataset`()
  `GetModel`()
  `GetNotes`()
  `GetSupplementalData`()
  `Init`()
  `SetCalculator`(calc)
  `SetDataset`(data)
  `SetModel`(model)
  `SetNotes`(notes)
  `SetSupplementalData`(suppD)