Commit ada0d807 authored by Michelle Gill's avatar Michelle Gill
Browse files

Rename MPNNTensorGraph to MPNNModel

parent 863065c7

deepchem/models/__init__.py

+2 −2
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@@ -17,7 +17,7 @@ from deepchem.models.tensorgraph.IRV import TensorflowMultiTaskIRVClassifier 
from deepchem.models.tensorgraph.robust_multitask import RobustMultitaskClassifier

from deepchem.models.tensorgraph.robust_multitask import RobustMultitaskRegressor

from deepchem.models.tensorgraph.progressive_multitask import ProgressiveMultitaskRegressor, ProgressiveMultitaskClassifier

from deepchem.models.tensorgraph.models.graph_models import WeaveModel, DTNNModel, DAGTensorGraph, GraphConvModel, MPNNTensorGraph

from deepchem.models.tensorgraph.models.graph_models import WeaveModel, DTNNModel, DAGTensorGraph, GraphConvModel, MPNNModel

from deepchem.models.tensorgraph.models.symmetry_function_regression import BPSymmetryFunctionRegression, ANIRegression



from deepchem.models.tensorgraph.models.seqtoseq import SeqToSeq
@@ -28,4 +28,4 @@ from deepchem.models.tensorgraph.models.sequence_dnn import SequenceDNN 


#################### Compatibility imports for renamed TensorGraph models. Remove below with DeepChem 3.0. ####################



from deepchem.models.tensorgraph.models.graph_models import WeaveTensorGraph, DTNNTensorGraph, GraphConvTensorGraph
 
 No newline at end of file
 
from deepchem.models.tensorgraph.models.graph_models import WeaveTensorGraph, DTNNTensorGraph, GraphConvTensorGraph, MPNNTensorGraphModel
 
 No newline at end of file

deepchem/models/tensorgraph/models/graph_models.py

+2 −2
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@@ -952,7 +952,7 @@ class GraphConvModel(TensorGraph): 
    return y_





class MPNNTensorGraph(TensorGraph):

class MPNNModel(TensorGraph):

  """ Message Passing Neural Network,

      default structures built according to https://arxiv.org/abs/1511.06391 """
@@ -987,7 +987,7 @@ class MPNNTensorGraph(TensorGraph): 
    self.T = T

    self.M = M

    self.mode = mode

    super(MPNNTensorGraph, self).__init__(**kwargs)

    super(MPNNModel, self).__init__(**kwargs)

    self.build_graph()



  def build_graph(self):

deepchem/models/tests/test_overfit.py

+1 −1
Original line number Diff line number Diff line
@@ -777,7 +777,7 @@ class TestOverfit(test_util.TensorFlowTestCase): 
    n_atom_feat = 75

    n_pair_feat = 14

    batch_size = 10

    model = dc.models.MPNNTensorGraph(

    model = dc.models.MPNNModel(

        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
@@ -287,7 +287,7 @@ def benchmark_classification(train_dataset, 
    T = hyper_parameters['T']

    M = hyper_parameters['M']



    model = deepchem.models.MPNNTensorGraph(

    model = deepchem.models.MPNNModel(

        len(tasks),

        n_atom_feat=n_features[0],

        n_pair_feat=n_features[1],
@@ -660,7 +660,7 @@ def benchmark_regression(train_dataset, 
    T = hyper_parameters['T']

    M = hyper_parameters['M']



    model = deepchem.models.MPNNTensorGraph(

    model = deepchem.models.MPNNModel(

        len(tasks),

        n_atom_feat=n_features[0],

        n_pair_feat=n_features[1],

examples/delaney/delaney_MPNN.py

+1 −1
Original line number Diff line number Diff line
@@ -29,7 +29,7 @@ n_pair_feat = 14 
# Batch size of models

batch_size = 64



model = dc.models.MPNNTensorGraph(

model = dc.models.MPNNModel(

    len(delaney_tasks),

    n_atom_feat=n_atom_feat,

    n_pair_feat=n_pair_feat,

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