Commit f0be6ac0 authored by yurievnamaria's avatar yurievnamaria
Browse files

fixed docs

parent d81ae713
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+1 −0
Original line number Diff line number Diff line
@@ -640,6 +640,7 @@ class ConvMolFeaturizer(MolecularFeaturizer):
  >>> featurizer=dc.feat.ConvMolFeaturizer(per_atom_fragmentation=True)
  >>> f = featurizer.featurize(smiles)
  >>> len(f) # contains 2 lists with  featurized fragments from 2 mols
  2

  See Also
  --------
+8 −6
Original line number Diff line number Diff line
@@ -1011,18 +1011,20 @@ class FlatteningTransformer(Transformer):

  >>> import tempfile
  >>> import deepchem as dc
  >>> fin = tempfile.NamedTemporaryFile(mode='w', delete=False)
  >>> fin.write("smiles,endpoint\\nc1ccccc1,1")
  >>> fin.close()
  >>> with tempfile.NamedTemporaryFile(mode='wt', delete=False) as fin:
  ...     tmp = fin.write("smiles,endpoint\\nc1ccccc1,1")
  >>> loader = dc.data.CSVLoader([], feature_field="smiles",
              featurizer = dc.feat.ConvMolFeaturizer(per_atom_fragmentation=False))
  >>> dataset = loader.create_dataset(fin.name) # dataset of molecules ready for prediction stage
  >>> # prepare dataset of molecules ready for prediction stage
  ... dataset = loader.create_dataset(fin.name)

  >>> loader = dc.data.CSVLoader([], feature_field="smiles",
  ...    featurizer=dc.feat.ConvMolFeaturizer(per_atom_fragmentation=True))
  >>> frag_dataset = loader.create_dataset(fin.name)
  >>> transformer = dc.trans.FlatteningTransformer(dataset=frag_dataset)
  >>> frag_dataset = transformer.transform(frag_dataset) # dataset of fragments ready for prediction stage
  >>> # prepare dataset of fragments ready for prediction stage,
  ... # thereafter difference with molecules' predictions can be calculated
  ... frag_dataset = transformer.transform(frag_dataset)

  See Also
  --------