Commit 74f11421 authored by miaecle's avatar miaecle
Browse files

small fix

parent 0088c753
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+3 −3
Original line number Diff line number Diff line
@@ -67,7 +67,7 @@ class MultitaskGraphRegressor(Model):
  def build(self):
    # Create target inputs
    self.label_placeholder = Input(tensor=K.placeholder(
      shape=(None,self.n_tasks), name="label_placeholder", dtype='bool'))
      shape=(None,self.n_tasks), name="label_placeholder", dtype='float32'))
    self.weight_placeholder = Input(tensor=K.placeholder(
          shape=(None,self.n_tasks), name="weight_placholder", dtype='float32'))

@@ -136,8 +136,8 @@ class MultitaskGraphRegressor(Model):
    for task in range(self.n_tasks):
      task_label_vector = task_labels[task]
      task_weight_vector = task_weights[task]
      task_loss = loss_fn(outputs[task], task_label_vector,
                          task_weight_vector) 
      task_loss = loss_fn(outputs[task], tf.squeeze(task_label_vector),
                          tf.squeeze(task_weight_vector)) 
      task_losses.append(task_loss)
    # It's ok to divide by just the batch_size rather than the number of nonzero
    # examples (effect averages out)
+1 −1
Original line number Diff line number Diff line
@@ -22,7 +22,7 @@ def load_delaney(featurizer='ECFP', split='index'):
    featurizer = dc.feat.CircularFingerprint(size=1024)
  elif featurizer == 'GraphConv':
    featurizer = dc.feat.ConvMolFeaturizer()
  loader = dc.data.DataLoader(
  loader = dc.data.CSVLoader(
      tasks=delaney_tasks, smiles_field="smiles", featurizer=featurizer)
  dataset = loader.featurize(
      dataset_file, shard_size=8192)
+1 −1
Original line number Diff line number Diff line
@@ -48,7 +48,7 @@ with g.as_default():
  with tf.Session() as sess:
    model = dc.models.MultitaskGraphRegressor(
      sess, graph_model, len(delaney_tasks), batch_size=batch_size,
      learning_rate=1e-2, learning_rate_decay_time=1000,
      learning_rate=1e-3, learning_rate_decay_time=1000,
      optimizer_type="adam", beta1=.9, beta2=.999)

    # Fit trained model