molprop.utils.mol_features.MolFeatures

class molprop.utils.mol_features.MolFeatures

Bases: object

Defines functions to get all molecular features.

Methods

__init__
add_feature
add_feature_value
calc_features
calc_features_raw
from_dict
from_yaml
get_all_features
get_feature
get_feature_indices
get_feature_names
get_total_dim
to_dict
to_yaml