Create rdkit_utils.py

rdkit_utils.py

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+from rdkit import Chem
+from rdkit.Chem import Draw
+from PIL import Image
+
+
+def plot_mol(smiles):
+    # Convert the SMILES string to an RDKit molecule object
+    mol = Chem.MolFromSmiles(smiles)
+
+    # Use RDKit to draw the molecule to an image, with original intended size
+    img = Draw.MolToImage(mol, size=(185, 185))
+
+    # Create a new, blank image with the desired final size (800x190 pixels) with a white background
+    final_img = Image.new('RGB', (890, 185), 'white')
+
+    # Calculate the position to paste the original image onto the blank image to keep it centered
+    left = (890 - 185) // 2
+    top = (185 - 185) // 2  # This will be zero in this case but included for clarity
+
+    # Paste the original image onto the blank image
+    final_img.paste(img, (left, top))
+
+    return final_img