Commit 62a823a2 authored by Karl Leswing's avatar Karl Leswing
Browse files

CR comments + pin keras=1.1.1

parent 0326fb2c
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+2 −3
Original line number Diff line number Diff line
@@ -5,8 +5,8 @@ python:
sudo: required
dist: trusty
install:
- if [[ "$TRAVIS_PYTHON_VERSION" == "2.7" ]]; then wget https://repo.continuum.io/archive/Anaconda2-4.2.0-Linux-x86_64.sh
  -O anaconda.sh; else wget https://repo.continuum.io/archive/Anaconda3-4.2.0-Linux-x86_64.sh
- if [[ "$TRAVIS_PYTHON_VERSION" == "2.7" ]]; then wget https://repo.continuum.io/archive/Anaconda2-4.3.0-Linux-x86_64.sh
  -O anaconda.sh; else wget https://repo.continuum.io/archive/Anaconda3-4.3.0-Linux-x86_64.sh
  -O anaconda.sh; fi
- bash anaconda.sh -b -p $HOME/anaconda
- export PATH="$HOME/anaconda/bin:$PATH"
@@ -18,7 +18,6 @@ install:
- source activate deepchem
- pip install yapf==0.16.0
- python setup.py install
- KERAS_BACKEND=tensorflow
script:
- nosetests -v deepchem --nologcapture
- find ./deepchem | grep .py$ |xargs python -m doctest -v
+10 −2
Original line number Diff line number Diff line
@@ -11,7 +11,11 @@ from subprocess import call


class TensorflowMoleculeEncoder(Model):

  """
  Transform molecules from one hot encoding into a latent vector
  representation.
  https://arxiv.org/abs/1610.02415
  """
  def __init__(self,
               model_dir=None,
               weights_file="model.h5",
@@ -73,7 +77,11 @@ class TensorflowMoleculeEncoder(Model):


class TensorflowMoleculeDecoder(Model):

  """
  Transform molecules from a latent space feature vector into
  a one hot encoding.
  https://arxiv.org/abs/1610.02415
  """
  def __init__(self,
               model_dir=None,
               weights_file="model.h5",
+1 −1
Original line number Diff line number Diff line
@@ -20,7 +20,7 @@ yes | pip install six
conda install -y -c omnia mdtraj
conda install -y scikit-learn
conda install -y setuptools
conda install -y keras
conda install -y -c anaconda keras=1.1.1
conda install -y -c conda-forge protobuf=3.1.0
yes | pip install $tensorflow==0.12.1
yes | pip install nose