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Getting some more tests in
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Bharath Ramsundar authored and Bharath Ramsundar committed Oct 21, 2020
1 parent 55e3df9 commit 8a01506
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Showing 3 changed files with 301 additions and 201 deletions.
60 changes: 54 additions & 6 deletions deepchem/models/layers.py
Expand Up @@ -2686,7 +2686,15 @@ def get_config(self):
return config

def build(self, input_shape):
init = initializers.get(self.init)

def init(input_shape):
return self.add_weight(
name='kernel',
shape=(input_shape[0], input_shape[1]),
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 @@ -2739,7 +2747,15 @@ def get_config(self):
return config

def build(self, input_shape):
init = initializers.get(self.init)

def init(input_shape):
return self.add_weight(
name='kernel',
shape=(input_shape[0], input_shape[1]),
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 @@ -2824,7 +2840,15 @@ def get_config(self):
def build(self, input_shape):
self.W_list = []
self.b_list = []
init = initializers.get(self.init)

def init(input_shape):
return self.add_weight(
name='kernel',
shape=(input_shape[0], input_shape[1]),
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 @@ -3230,9 +3254,17 @@ def get_config(self):
return config

def build(self, input_shape):

def init(input_shape):
return self.add_weight(
name='kernel',
shape=(input_shape[0], input_shape[1]),
initializer=self.init,
trainable=True)

n_pair_features = self.n_pair_features
n_hidden = self.n_hidden
init = initializers.get(self.init)
#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 @@ -3262,7 +3294,15 @@ def get_config(self):

def build(self, input_shape):
n_hidden = self.n_hidden
init = initializers.get(self.init)

def init(input_shape):
return self.add_weight(
name='kernel',
shape=(input_shape[0], input_shape[1]),
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 @@ -3317,7 +3357,15 @@ def get_config(self):
return config

def build(self, input_shape):
init = initializers.get(self.init)

def init(input_shape):
return self.add_weight(
name='kernel',
shape=(input_shape[0], input_shape[1]),
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

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