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5 changes: 4 additions & 1 deletion smdt/descriptors/kappa.py
Original file line number Diff line number Diff line change
@@ -1,7 +1,10 @@

from rdkit import Chem
from rdkit.Chem import rdchem
from rdkit.Chem import pyPeriodicTable as PeriodicTable
try:
from rdkit.Chem import pyPeriodicTable as PeriodicTable
except:
from rdkit.Chem import PeriodicTable
periodicTable = rdchem.GetPeriodicTable()
import pandas as pd

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6 changes: 5 additions & 1 deletion smdt/regression.py
Original file line number Diff line number Diff line change
@@ -1,5 +1,9 @@
from sklearn.ensemble import RandomForestRegressor
from sklearn.preprocessing import StandardScaler, LabelEncoder, Imputer
from sklearn.preprocessing import StandardScaler, LabelEncoder
try:
from sklearn.preprocessing import Imputer
except ImportError:
from sklearn.impute import SimpleImputer
from sklearn.feature_selection import SelectKBest, mutual_info_regression
from sklearn.model_selection import train_test_split, GridSearchCV
from sklearn.linear_model import LassoCV, RidgeCV, ElasticNetCV
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