Commit 0cce5e8a authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Yapf run

parent c6c9993a

examples/chembl/chembl_graph_conv.py

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@@ -13,8 +13,8 @@ import deepchem as dc 
from chembl_datasets import load_chembl



# Load ChEMBL dataset

chembl_tasks, datasets, transformers = load_chembl(shard_size=2000,

  featurizer="GraphConv", set="5thresh", split="random")

chembl_tasks, datasets, transformers = load_chembl(

    shard_size=2000, featurizer="GraphConv", set="5thresh", split="random")

train_dataset, valid_dataset, test_dataset = datasets



# Fit models

examples/clintox/clintox_graph_conv.py

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@@ -19,8 +19,8 @@ clintox_tasks, clintox_datasets, transformers = load_clintox( 
train_dataset, valid_dataset, test_dataset = clintox_datasets



# Fit models

metric = dc.metrics.Metric(dc.metrics.roc_auc_score, np.mean,

                           mode="classification")

metric = dc.metrics.Metric(

    dc.metrics.roc_auc_score, np.mean, mode="classification")



# Do setup required for tf/keras models

# Number of features on conv-mols

examples/delaney/delaney_graph_conv.py

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@@ -13,7 +13,8 @@ import deepchem as dc 
from delaney_datasets import load_delaney



# Load Delaney dataset

delaney_tasks, delaney_datasets, transformers = load_delaney(featurizer='GraphConv',split='index')

delaney_tasks, delaney_datasets, transformers = load_delaney(

    featurizer='GraphConv', split='index')

train_dataset, valid_dataset, test_dataset = delaney_datasets



# Fit models

examples/tox21/tox21_graph_conv.py

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@@ -12,7 +12,6 @@ tf.set_random_seed(123) 
import deepchem as dc

from tox21_datasets import load_tox21





# Load Tox21 dataset

tox21_tasks, tox21_datasets, transformers = load_tox21(featurizer='GraphConv')

train_dataset, valid_dataset, test_dataset = tox21_datasets

examples/sampl/sampl_graph_conv.py

+9 −9

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