Commit 182f37f4 authored by Bharath Ramsundar's avatar Bharath Ramsundar
Browse files

Merge conflict handling

parents 17a78f4c 20023d04
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+3 −0
Original line number Diff line number Diff line
@@ -3,6 +3,7 @@ python:
- '2.7'
sudo: required
install:
- sudo apt-get update
- wget http://repo.continuum.io/archive/Anaconda2-2.4.1-Linux-x86_64.sh -O anaconda.sh;
- bash anaconda.sh -b -p $HOME/anaconda
- export PATH="$HOME/anaconda/bin:$PATH"
@@ -17,6 +18,8 @@ install:
- conda install joblib
- conda install -c omnia theano
- conda install -c omnia keras
- conda install seaborn
- conda install six
- python setup.py install
script:
- nosetests -v deepchem
+24 −9
Original line number Diff line number Diff line
@@ -9,7 +9,8 @@ import os
import numpy as np
from keras.models import Graph
from keras.models import model_from_json
from keras.layers.core import Dense, Dropout
from keras.layers.core import Dense, Dropout, Activation
from keras.layers.normalization import BatchNormalization 
from keras.optimizers import SGD
from deepchem.models import Model

@@ -66,24 +67,38 @@ class MultiTaskDNN(KerasModel):
      (n_inputs,) = model_params["data_shape"]
      model = Graph()
      model.add_input(name="input", input_shape=(n_inputs,))
      prev_layer = "input"
      for ind, layer in enumerate(range(model_params["nb_layers"])):
        dense_layer_name = "dense%d" % ind
        activation_layer_name = "activation%d" % ind
        batchnorm_layer_name = "batchnorm%d" % ind
        dropout_layer_name = "dropout%d" % ind
        model.add_node(
          Dense(model_params["nb_hidden"], init=model_params["init"],
                activation=model_params["activation"]),
          name="dense", input="input")
            Dense(model_params["nb_hidden"], init=model_params["init"]),
            name=dense_layer_name, input=prev_layer)
        prev_layer = dense_layer_name 
        if model_params["batchnorm"]:
          model.add_node(
            BatchNormalization(), input=prev_layer, name=batchnorm_layer_name)
          prev_layer = batchnorm_layer_name
        model.add_node(Activation(model_params["activation"]),
                       name=activation_layer_name, input=prev_layer)
        prev_layer = activation_layer_name
        if model_params["dropout"] > 0:
          model.add_node(Dropout(model_params["dropout"]),
                     name="dropout",
                     input="dense")
      top_layer = "dropout"
                         name=dropout_layer_name,
                         input=prev_layer)
          prev_layer = dropout_layer_name
      for ind, task in enumerate(sorted_tasks):
        task_type = task_types[task]
        if task_type == "classification":
          model.add_node(
              Dense(2, init=model_params["init"], activation="softmax"),
              name="dense_head%d" % ind, input=top_layer)
              name="dense_head%d" % ind, input=prev_layer)
        elif task_type == "regression":
          model.add_node(
              Dense(1, init=model_params["init"]),
              name="dense_head%d" % ind, input=top_layer)
              name="dense_head%d" % ind, input=prev_layer)
        model.add_output(name="task%d" % ind, input="dense_head%d" % ind)

      loss_dict = {}
+510 −150

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