test

app.py

@@ -9,6 +9,7 @@ warnings.filterwarnings("ignore")
 
 model_dir = './workdir/gradio/'
 checkpoint = 'checkpointbest_valid_1.ckp'
+total_num = 0
 
 def get_config(model_dir):
     # get config
@@ -108,21 +109,23 @@ def get_models(model_config, model_dir, checkpoint):
     return model
 
 def mbp_scoring(ligand_path, protein_path):
-    model_config = get_config(model_dir)
     data_example = get_data(model_config, ligand_path, protein_path)
-    model = get_models(model_config, model_dir, checkpoint)
     _, (affinity_pred_IC50, affinity_pred_K), _ = model(data_example, ASRP=False)
     return affinity_pred_IC50.item(), affinity_pred_K.item()
 
 
 def test(ligand, protein):
+    global total_num
+    total_num = total_num + 1
+    print(f'total num: {total_num}')
     try:
         IC50, K = mbp_scoring(ligand.name, protein.name)
-        # print(f'ligand file name: {os.path.basename(ligand)},'
-        #       f' protein file name: {os.path.basename(protein)},'
-        #       f' IC50: {IC50}, K: {K}')
+        print(f'ligand file name: {os.path.basename(ligand.name)},'
+              f' protein file name: {os.path.basename(protein.name)},'
+              f' IC50: {IC50}, K: {K}')
         return '{:.2f}'.format(IC50), '{:.2f}'.format(K)
     except Exception as e:
+        # print(e)
         return e, e
 
 with gr.Blocks() as demo:
@@ -134,4 +137,8 @@ with gr.Blocks() as demo:
     submit_btn = gr.Button("Submit")
     submit_btn.click(fn=test, inputs=[ligand, protein], outputs=[IC50, K], api_name="MBP_Scoring")
 
-demo.launch(share=True)
+model_config = get_config(model_dir)
+data_example = get_data(model_config, './workdir/gradio/1a0q_ligand.sdf', './workdir/gradio/1a0q_protein.pdb')
+model = get_models(model_config, model_dir, checkpoint)
+
+demo.launch(share=False)