Merge pull request #227 from hjkgrp/welcome_subgroup_2_bug

welcom_subgroup_2
hjkgrp · Apr 23, 2024 · 7d96dfb · 7d96dfb
2 parents 931a77f + 5104485
commit 7d96dfb
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diff --git a/molSimplify/Informatics/HFXsensitivity/measure_HFX_stable.py b/molSimplify/Informatics/HFXsensitivity/measure_HFX_stable.py
@@ -1,12 +1,9 @@
 import os
-import glob
 import numpy as np
-import sys
 import pandas as pd
 import argparse
 from sklearn.linear_model import LinearRegression
-from sklearn.model_selection import LeaveOneOut, LeavePOut
-from scipy import stats
+from sklearn.model_selection import LeaveOneOut
 
 '''
 This script takes in an absolute path to a CSV file that has

diff --git a/molSimplify/Informatics/organic_fingerprints.py b/molSimplify/Informatics/organic_fingerprints.py
@@ -1,6 +1,5 @@
 from rdkit import Chem
 from rdkit.Chem import AllChem
-from rdkit.Chem.AtomPairs import Torsions
 from molSimplify.Classes.mol3D import mol3D