Loading deepchem/dock/pose_generation.py +1 −0 Original line number Diff line number Diff line Loading @@ -56,6 +56,7 @@ def get_molecule_data(pybel_molecule): class VinaPoseGenerator(PoseGenerator): """Uses Autodock Vina to generate binding poses.""" def __init__(self, exhaustiveness=1): """Initializes Vina Pose generation""" Loading Loading
deepchem/dock/pose_generation.py +1 −0 Original line number Diff line number Diff line Loading @@ -56,6 +56,7 @@ def get_molecule_data(pybel_molecule): class VinaPoseGenerator(PoseGenerator): """Uses Autodock Vina to generate binding poses.""" def __init__(self, exhaustiveness=1): """Initializes Vina Pose generation""" Loading
