MolecularDiffusion.utils.shepherd_score.score.constants

Constants for 3D representations.

Attributes

ALPHA
COULOMB_SCALING
DIRECTIONAL_PTYPES
LAM_SCALING
P_ALPHAS
P_TYPES

Module Contents

MolecularDiffusion.utils.shepherd_score.score.constants.ALPHA

MolecularDiffusion.utils.shepherd_score.score.constants.COULOMB_SCALING

MolecularDiffusion.utils.shepherd_score.score.constants.DIRECTIONAL_PTYPES

MolecularDiffusion.utils.shepherd_score.score.constants.LAM_SCALING

MolecularDiffusion.utils.shepherd_score.score.constants.P_ALPHAS

MolecularDiffusion.utils.shepherd_score.score.constants.P_TYPES = ('Acceptor', 'Donor', 'Aromatic', 'Hydrophobe', 'Halogen', 'Cation', 'Anion', 'ZnBinder', 'Dummy')