Commit 2ad936e7 authored by arunppsg's avatar arunppsg
Browse files

updated docs

parent ff1b21f3
Loading
Loading
Loading
Loading
+2 −2
Original line number Diff line number Diff line
@@ -11,8 +11,8 @@ class BPSymmetryFunctionInput(MolecularFeaturizer):

  This method is described in [1]_.

  Standalone usage:

  Examples
  --------
  >>> import deepchem as dc
  >>> smiles = ['C1C=CC=CC=1']
  >>> featurizer = dc.feat.BPSymmetryFunctionInput(max_atoms=10)
+0 −1
Original line number Diff line number Diff line
@@ -31,7 +31,6 @@ class CircularFingerprint(MolecularFeaturizer):
  >>> import deepchem as dc
  >>> from rdkit import Chem
  >>> smiles = ['C1=CC=CC=C1']
  
  >>> # Example 1: (size = 2048, radius = 4)
  >>> featurizer = dc.feat.CircularFingerprint(size=2048, radius=4)
  >>> features = featurizer.featurize(smiles)
+2 −2
Original line number Diff line number Diff line
@@ -28,14 +28,14 @@ class OneHotFeaturizer(Featurizer):

  >>> import deepchem as dc
  >>> featurizer = dc.feat.OneHotFeaturizer()
  >>> smiles = ['CC(=O)OC1=CC=CC=C1C(=O)O']
  >>> smiles = ['CCC']
  >>> encodings = featurizer.featurize(smiles)
  >>> type(encodings[0])
  <class 'numpy.ndarray'>
  >>> encodings[0].shape
  (100, 35)
  >>> featurizer.untransform(encodings[0])
  'CC(=O)Oc1ccccc1C(=O)O'
  'CCC'

  Note
  ----