Update src/bin/binding_affinity_estimator.py

src/bin/binding_affinity_estimator.py

@@ -150,11 +150,14 @@ def calculate_vector_multiplications(skempi_vectors_df):
             vec2 = list(skempi_vectors_df[skempi_vectors_df['PDB_ID'] == row['Protein2']]['Vector'])[0]
             multiplied_vec = np.multiply(vec1, vec2)
 
-            multiplied_vectors = multiplied_vectors.append({
+            new_row = pd.DataFrame([{
                 'Protein1': row['Protein1'], 
                 'Protein2': row['Protein2'],
                 'Vector': multiplied_vec
-            }, ignore_index=True)
+            }])
+            
+            # Concatenate the new row with the existing DataFrame
+            multiplied_vectors = pd.concat([multiplied_vectors, new_row], ignore_index=True)
     
     return multiplied_vectors