use custom mdtraj

conda install -y -q -c omnia pdbfixer=1.4

conda install -y -q -c conda-forge joblib=0.11

conda install -y -q -c conda-forge six=1.10.0

conda install -y -q -c conda-forge mdtraj=1.9.1

conda install -y -q -c deepchem mdtraj=1.9.1

conda install -y -q -c conda-forge scikit-learn=0.19.1

conda install -y -q -c conda-forge setuptools=36.2.2

conda install -y -q -c conda-forge keras=1.2.2