Commit 52bce871 authored by peastman's avatar peastman
Browse files

Removed a test for a model that no longer exists

parent c348b7f1
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+0 −40
Original line number Diff line number Diff line
@@ -573,46 +573,6 @@ class TestOverfit(test_util.TensorFlowTestCase):
    scores = model.evaluate(dataset, [regression_metric])
    assert scores[regression_metric.name] < .2

  @attr('slow')
  def test_ANI_multitask_regression_overfit(self):
    """Test ANI-1 regression overfits tiny data."""
    input_file = os.path.join(self.current_dir, "example_DTNN.mat")
    np.random.seed(123)
    tf.random.set_seed(123)
    dataset = scipy.io.loadmat(input_file)
    X = np.concatenate([np.expand_dims(dataset['Z'], 2), dataset['R']], axis=2)
    X = X[:, :13, :]
    y = dataset['T']
    w = np.ones_like(y)
    dataset = dc.data.DiskDataset.from_numpy(X, y, w, ids=None)
    regression_metric = dc.metrics.Metric(
        dc.metrics.pearson_r2_score, mode="regression")
    n_tasks = y.shape[1]
    batch_size = 10

    transformers = [
        dc.trans.NormalizationTransformer(transform_y=True, dataset=dataset),
    ]

    for transformer in transformers:
      dataset = transformer.transform(dataset)

    model = dc.models.ANIRegression(
        n_tasks,
        13,
        atom_number_cases=[1, 6, 7, 8],
        batch_size=batch_size,
        learning_rate=ExponentialDecay(0.01, 0.7, 100),
        mode="regression")

    # Fit trained model
    model.fit(dataset, nb_epoch=500)

    # Eval model on train
    scores = model.evaluate(dataset, [regression_metric], transformers[0:1])

    assert scores[regression_metric.name] > .7

  @attr('slow')
  def test_DAG_singletask_regression_overfit(self):
    """Test DAG regressor multitask overfits tiny data."""