filenames

inference_app.py

@@ -78,7 +78,7 @@ def predict(
 
     if input_protein is None:
         raise gr.Error("need input_protein")
-    ligand_file = "ligand.sdf"
+    ligand_file = Path(input_protein).parent / "ligand.sdf"
     conformer = Chem.AddHs(Chem.MolFromSmiles(input_ligand))
     AllChem.EmbedMolecule(conformer)
     AllChem.MMFFOptimizeMolecule(conformer)
@@ -94,7 +94,7 @@ def predict(
     )
     end_time = time.time()
     run_time = end_time - start_time
-    return [input_protein.name, docking_poses[0]], run_time
+    return [input_protein.name, docking_poses[0].name], run_time
 
 
 def get_metrics(