Install Deepchem EZ

#!/usr/bin/env bash

# Used to make a conda environment with deepchem

# Change commented out line For gpu tensorflow

#export tensorflow=tensorflow-gpu

export tensorflow=tensorflow

if [ -z "$1" ]

then

    echo "Must Specify Conda Environment Name"

fi

export envname=$1

conda create -y --name $envname python=3.5

source activate $envname

conda install -y -c omnia openbabel=2.4.0

conda install -y -c rdkit rdkit

conda install -y joblib

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 conda-forge protobuf=3.1.0

yes | pip install $tensorflow==0.12.1

yes | pip install nose