update app.py

app.py

@@ -79,7 +79,7 @@ smiles_image_mapping = {
     "Mol 5": {"smiles": "C=CCS[C@@H](C)CC(=O)OCC", "image": "img/img5.png"}  # Example SMILES for chloroethane
 }
 
-datasets = [" ","BACE", "ESOL", "Custom Dataset"]
+datasets = ["Load Custom Dataset"]
 
 models_enabled = ["SELFIES-TED", "MHG-GED", "MolFormer", "SMI-TED"]
 
@@ -115,12 +115,26 @@ def evaluate_and_log(models, dataset, task_type, eval_output):
     return log_df
 
 
-log_df = pd.read_csv('log.csv', index_col=0)
+try:
+    log_df = pd.read_csv('log.csv', index_col=0)
+except:
+    log_df = pd.DataFrame({"":[],
+    'Selected Models': [],
+    'Dataset': [],
+    'Task': [],
+    'Result': []
+        })
+    csv_file_path = 'log.csv'
+    log_df.to_csv(csv_file_path, index=False)
 
 
 # Load images for selection
 def load_image(path):
-    return Image.open(smiles_image_mapping[path]["image"])# Image.1open(path)
+    try:
+        return Image.open(smiles_image_mapping[path]["image"])# Image.1open(path)
+    except:
+        pass
+
 
 
 # Function to handle image selection
@@ -393,8 +407,8 @@ def display_plot(plot_type):
 
 # Predefined dataset paths (these should be adjusted to your file paths)
 predefined_datasets = {
-    "BACE": f"./data/bace/train.csv, ./data/bace/test.csv, smiles, Class",
-    "ESOL": f"./data/esol/train.csv, ./data/esol/test.csv, smiles, prop",
+    #"BACE": f"./data/bace/train.csv, ./data/bace/test.csv, smiles, Class",
+    #"ESOL": f"./data/esol/train.csv, ./data/esol/test.csv, smiles, prop",
 }
 
 
@@ -426,16 +440,6 @@ def handle_dataset_selection(selected_dataset):
         return gr.update(visible=True), gr.update(visible=True),  gr.update(visible=True), gr.update(visible=True), gr.update(
             visible=True), gr.update(visible=False), gr.update(visible=True), gr.update(visible=True)
     else:
-        #[dataset_name, train_file, train_display, test_file, test_display, predefined_display,
-        # input_column_selector, output_column_selector]
-
-
-
-        # Load the predefined dataset from its local path
-        #return gr.update(visible=True), gr.update(visible=False), gr.update(visible=False), gr.update(visible=False), gr.update(
-        #    visible=False), gr.update(visible=False), gr.update(visible=False), gr.update(visible=False)
-        #return gr.update(visible=True), gr.update(visible=False), gr.update(visible=True), gr.update(
-        #    visible=False), gr.update(visible=True), gr.update(visible=False), gr.update(visible=False), gr.update(visible=False)
         return gr.update(visible=True), gr.update(visible=False), gr.update(visible=False), gr.update(
             visible=False), gr.update(visible=False), gr.update(visible=False), gr.update(visible=False), gr.update(visible=False)