Commit f64ee7e9 authored by miaecle's avatar miaecle
Browse files

update docs

parent e1262c98
Loading
Loading
Loading
Loading
+12 −0
Original line number Diff line number Diff line
@@ -64,6 +64,18 @@ class TextCNNTensorGraph(TensorGraph):
  then max-over-time pooling is applied on all filters, extracting one feature per filter.
  All features are concatenated and transformed through several hidden layers to form predictions.

  This model is initially developed for sentence-level classification tasks, with
  words represented as vectors. In this implementation, SMILES strings are dissected
  into characters and transformed to one-hot vectors in a similar way. The model can
  be used for general molecular-level classification or regression tasks. It is also
  used in the ORGAN model as discriminator.
  
  Training of the model only requires SMILES strings input, all featurized datasets
  that include SMILES in the `ids` attribute are accepted. PDBbind, QM7 and QM7b 
  are not supported. To use the model, `build_char_dict` should be called first
  before defining the model to build character dict of input dataset, example can
  be found in examples/delaney/delaney_textcnn.py
  
  """

  def __init__(