Commit 8f04d1dd authored by cc's avatar cc
Browse files

Reverted n_feat to 75 and nci_rf fix

parent d27caba0

examples/chembl/chembl_graph_conv.py

+2 −2
Original line number Diff line number Diff line
@@ -29,7 +29,7 @@ with g.as_default(): 


  # Do setup required for tf/keras models

  # Number of features on conv-mols

  n_feat = 71

  n_feat = 75

  # Batch size of models

  batch_size = 128

  graph_model = dc.nn.SequentialGraph(n_feat)
@@ -52,7 +52,7 @@ with g.as_default(): 
      optimizer_type="adam", beta1=.9, beta2=.999)



    # Fit trained model

    model.fit(train_dataset, nb_epoch=10)

    model.fit(train_dataset, nb_epoch=25)



    print("Evaluating model")

    train_scores = model.evaluate(train_dataset, [metric], transformers)

examples/delaney/delaney_graph_conv.py

+1 −1
Original line number Diff line number Diff line
@@ -29,7 +29,7 @@ with g.as_default(): 


  # Do setup required for tf/keras models

  # Number of features on conv-mols

  n_feat = 71

  n_feat = 75

  # Batch size of models

  batch_size = 128

  graph_model = dc.nn.SequentialGraph(n_feat)

examples/nci/nci_rf.py

+2 −0
Original line number Diff line number Diff line
@@ -32,6 +32,8 @@ os.makedirs(base_dir) 
nci_tasks, nci_dataset, transformers = load_nci(

    base_dir)



(train_dataset, valid_dataset, test_dataset) = nci_dataset



classification_metric = Metric(metrics.roc_auc_score, np.mean,

                               verbosity=verbosity,

                               mode="classification")

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