From 110114f0635ba46e3911c4fd69adf6cdcbbd3f01 Mon Sep 17 00:00:00 2001
From: afurkaan <141612173+afurkaan@users.noreply.github.com>
Date: Thu, 10 Jul 2025 05:08:21 +0300
Subject: [PATCH] Update utils.py

---
 prot2mol/utils.py | 14 +++++++++++---
 1 file changed, 11 insertions(+), 3 deletions(-)

diff --git a/prot2mol/utils.py b/prot2mol/utils.py
index 3f5dc1e..530f1ac 100644
--- a/prot2mol/utils.py
+++ b/prot2mol/utils.py
@@ -179,8 +179,16 @@ def to_mol(smiles_list):
     return [Chem.MolFromSmiles(smiles) for smiles in smiles_list]
 
 def sascorer_calculation(mols):
-    return [sascorer.calculateScore(mol) if mol is not None else None for mol in mols]
-
+    scores = []
+    for mol in mols:
+        if mol is None:
+            scores.append(None)
+        else:
+            try:
+                scores.append(sascorer.calculateScore(mol))
+            except ZeroDivisionError:
+                scores.append(None)
+    return scores
 def qed_calculation(mols):
     return [QED.qed(mol) if mol is not None else None for mol in mols]
 
@@ -271,4 +279,4 @@ def metrics_calculation(predictions, references, train_data, train_vec=None,trai
 
         
         
-        
\ No newline at end of file
+