Update app.py

app.py

@@ -6,7 +6,7 @@ import io
 import rdkit
 from rdkit import Chem
 from rdkit.Chem import Draw
-from utils import bbox_to_graph_with_charge
+from utils import bbox_to_graph_with_charge, mol_from_graph_with_chiral
 
 bond_labels = [13,14,15,16,17]
 idx_to_labels = {0:'other',1:'C',2:'O',3:'N',4:'Cl',5:'Br',6:'S',7:'F',8:'B',
@@ -60,7 +60,7 @@ def predict(input_image):
         predictions = session.run([output_name], {input_name: processed_image})
         
         # 假设模型输出是SMILES字符串
-        output = predictions[0]  # 根据实际模型输出格式调整
+        output = predictions  # 根据实际模型输出格式调整
         atoms_df, bonds_list,charge_list =bbox_to_graph_with_charge(output, idx_to_labels=idx_to_labels,
                                                     bond_labels=bond_labels,  result=[])
         smiles,mol_rebuit=mol_from_graph_with_chiral(atoms_df, bonds_list,charge_list )