Update src/bin/binding_affinity_estimator.py

src/bin/binding_affinity_estimator.py

@@ -190,4 +190,5 @@ def predict_affinities_and_report_results():
     result_summary, result_detail = predictAffinityWithModel(model, multiplied_vectors_df)
 
     # Return the results as a dictionary instead of writing to a file
-    return result_summary
+    return {'summary': result_summary,
+            'detail': result_detail}