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Cleaning up
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Bharath Ramsundar authored and Bharath Ramsundar committed Oct 21, 2020
1 parent 8a01506 commit a01e688
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Showing 2 changed files with 5 additions and 16 deletions.
6 changes: 0 additions & 6 deletions deepchem/models/layers.py
Expand Up @@ -2694,7 +2694,6 @@ def init(input_shape):
initializer=self.init,
trainable=True)

#init = initializers.get(self.init)
self.embedding_list = init([self.periodic_table_length, self.n_embedding])
self.built = True

Expand Down Expand Up @@ -2755,7 +2754,6 @@ def init(input_shape):
initializer=self.init,
trainable=True)

#init = initializers.get(self.init)
self.W_cf = init([self.n_embedding, self.n_hidden])
self.W_df = init([self.n_distance, self.n_hidden])
self.W_fc = init([self.n_hidden, self.n_embedding])
Expand Down Expand Up @@ -2848,7 +2846,6 @@ def init(input_shape):
initializer=self.init,
trainable=True)

#init = initializers.get(self.init)
prev_layer_size = self.n_embedding
for i, layer_size in enumerate(self.layer_sizes):
self.W_list.append(init([prev_layer_size, layer_size]))
Expand Down Expand Up @@ -3264,7 +3261,6 @@ def init(input_shape):

n_pair_features = self.n_pair_features
n_hidden = self.n_hidden
#init = initializers.get(self.init)
self.W = init([n_pair_features, n_hidden * n_hidden])
self.b = backend.zeros(shape=(n_hidden * n_hidden,))
self.built = True
Expand Down Expand Up @@ -3302,7 +3298,6 @@ def init(input_shape):
initializer=self.init,
trainable=True)

#init = initializers.get(self.init)
self.Wz = init([n_hidden, n_hidden])
self.Wr = init([n_hidden, n_hidden])
self.Wh = init([n_hidden, n_hidden])
Expand Down Expand Up @@ -3365,7 +3360,6 @@ def init(input_shape):
initializer=self.init,
trainable=True)

#init = initializers.get(self.init)
self.U = init((2 * self.n_hidden, 4 * self.n_hidden))
self.b = tf.Variable(
np.concatenate((np.zeros(self.n_hidden), np.ones(self.n_hidden),
Expand Down
15 changes: 5 additions & 10 deletions deepchem/models/tests/test_reload.py
Expand Up @@ -773,6 +773,10 @@ def test_textCNN_classification_reload():
model_dir=model_dir)
reloaded_model.restore()

# Eval model on train
scores = reloaded_model.evaluate(dataset, [classification_metric])
assert scores[classification_metric.name] > .8

assert len(reloaded_model.model.get_weights()) == len(
model.model.get_weights())
for (reloaded, orig) in zip(reloaded_model.model.get_weights(),
Expand All @@ -785,18 +789,9 @@ def test_textCNN_classification_reload():
predset = dc.data.NumpyDataset(Xpred, ids=predmols)
origpred = model.predict(predset)
reloadpred = reloaded_model.predict(predset)

Xproc = reloaded_model.smiles_to_seq_batch(np.array(predmols))
reloadout = reloaded_model.model(Xproc)
origout = model.model(Xproc)

assert len(model.model.layers) == len(reloaded_model.model.layers)

assert np.all(origpred == reloadpred)

# Eval model on train
scores = reloaded_model.evaluate(dataset, [classification_metric])
assert scores[classification_metric.name] > .8
assert len(model.model.layers) == len(reloaded_model.model.layers)


def test_1d_cnn_regression_reload():
Expand Down

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