Commit 8b5dab8c authored by Michelle Gill's avatar Michelle Gill
Browse files

Fix addtional files

parent 122c5243

deepchem/models/tensorgraph/models/test_graph_models.py

+2 −2
Original line number Diff line number Diff line
@@ -8,7 +8,7 @@ from deepchem.models import GraphConvModel 
from deepchem.models import TensorGraph

from deepchem.molnet.load_function.delaney_datasets import load_delaney

from deepchem.models.tensorgraph.layers import ReduceSum, L2Loss

from deepchem.models import WeaveTensorGraph

from deepchem.models import WeaveTensorModel

from deepchem.feat import ConvMolFeaturizer
@@ -137,7 +137,7 @@ class TestGraphModels(unittest.TestCase): 
        'regression', 'Weave', num_tasks=1)



    batch_size = 50

    model = WeaveTensorGraph(

    model = WeaveTensorModel(

        len(tasks), batch_size=batch_size, mode='regression', use_queue=False)



    model.fit(dataset, nb_epoch=1)

deepchem/models/tests/test_overfit.py

+2 −2
Original line number Diff line number Diff line
@@ -698,7 +698,7 @@ class TestOverfit(test_util.TensorFlowTestCase): 
    n_feat = 128

    batch_size = 10



    model = dc.models.WeaveTensorGraph(

    model = dc.models.WeaveTensorModel(

        n_tasks,

        n_atom_feat=n_atom_feat,

        n_pair_feat=n_pair_feat,
@@ -738,7 +738,7 @@ class TestOverfit(test_util.TensorFlowTestCase): 
    n_feat = 128

    batch_size = 10



    model = dc.models.WeaveTensorGraph(

    model = dc.models.WeaveTensorModel(

        n_tasks,

        n_atom_feat=n_atom_feat,

        n_pair_feat=n_pair_feat,

deepchem/molnet/run_benchmark_models.py

+2 −2
Original line number Diff line number Diff line
@@ -242,7 +242,7 @@ def benchmark_classification(train_dataset, 
    n_graph_feat = hyper_parameters['n_graph_feat']

    n_pair_feat = hyper_parameters['n_pair_feat']



    model = deepchem.models.WeaveTensorGraph(

    model = deepchem.models.WeaveTensorModel(

        len(tasks),

        n_atom_feat=n_features,

        n_pair_feat=n_pair_feat,
@@ -577,7 +577,7 @@ def benchmark_regression(train_dataset, 
    n_graph_feat = hyper_parameters['n_graph_feat']

    n_pair_feat = hyper_parameters['n_pair_feat']



    model = deepchem.models.WeaveTensorGraph(

    model = deepchem.models.WeaveTensorModel(

        len(tasks),

        n_atom_feat=n_features,

        n_pair_feat=n_pair_feat,

examples/delaney/delaney_tensorgraph_weave.py

+1 −1
Original line number Diff line number Diff line
@@ -25,7 +25,7 @@ n_pair_feat = 14 
batch_size = 64

n_feat = 128



model = dc.models.WeaveTensorGraph(

model = dc.models.WeaveTensorModel(

    len(delaney_tasks),

    batch_size=batch_size,

    learning_rate=1e-3,

examples/tox21/tox21_tensorgraph_weave.py

+1 −1
Original line number Diff line number Diff line
@@ -25,7 +25,7 @@ n_pair_feat = 14 
batch_size = 64

n_feat = 128



model = dc.models.WeaveTensorGraph(

model = dc.models.WeaveTensorModel(

    len(tox21_tasks),

    batch_size=batch_size,

    learning_rate=1e-3,

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