Commit a574e3f2 authored by Bharath Ramsundar's avatar Bharath Ramsundar Committed by GitHub
Browse files

Merge pull request #807 from rbharath/notebooks 

Adds three more tutorials to website
parents 1f68fc15 6829ee14

deepchem/models/tensorgraph/tensor_graph.py

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@@ -211,6 +211,7 @@ class TensorGraph(Model): 
          print('Ending global_step %d: Average loss %g' % (self.global_step,

                                                            avg_loss))

          avg_loss, n_batches = 0.0, 0.0

      if n_batches > 0:

        avg_loss = float(avg_loss) / n_batches

        print('Ending global_step %d: Average loss %g' % (self.global_step,

                                                          avg_loss))

docs/source/notebooks/BACE.rst

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BACE

====

Modeling Inhibitors of BACE-1

=============================



.. notebook:: BACE

docs/source/notebooks/Multitask_Networks_on_MUV.rst

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Using Multitask Deep Fully Connected Networks on the MUV dataset

================================================================



.. notebook:: Multitask_Networks_on_MUV

docs/source/notebooks/graph_convolutional_networks_for_tox21.rst

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Modeling Small Molecule Toxicity with Graph Convolutions

========================================================



.. notebook:: graph_convolutional_networks_for_tox21

docs/source/notebooks/index.rst

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@@ -17,8 +17,12 @@ them in Jupyter:: 
.. toctree::

   :maxdepth: 2

   :titlesonly:

   :caption: DeepChem Tutorials



   BACE 

   graph_convolutional_networks_for_tox21

   mnist 

   Multitask_Networks_on_MUV 





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