Update app.py

app.py

@@ -1100,7 +1100,7 @@ def create_html_report(df, file=None, task=None, opts=(), progress=gr.Progress(t
 
         for i, col in enumerate(num_cols):
             if col in df_html.columns:
-                if col not in ['Predicted Binding Affinity', 'Actual Binding Affinity']:
+                if col not in ['Binding Affinity (IC50 [nM])']:
                     styled_df = styled_df.background_gradient(
                         subset=[col], cmap=sns.light_palette(num_col_colors[i], as_cmap=True))
                 else:
@@ -1141,8 +1141,7 @@ def create_html_report(df, file=None, task=None, opts=(), progress=gr.Progress(t
         bool_formatters = {col: BooleanFormatter() for col in bool_cols}
         float_formatters = {col: NumberFormatter(format='0.000') for col in df_html.select_dtypes('floating').columns}
         other_formatters = {
-            'Predicted Interaction Probability': {'type': 'progress', 'max': 1.0, 'legend': True},
-            'Actual Interaction Probability': {'type': 'progress', 'max': 1.0, 'legend': True},
+            'Interaction Probability': {'type': 'progress', 'max': 1.0, 'legend': True},
             'Compound': image_zoom_formatter,
             'Scaffold': image_zoom_formatter,
             'Target FASTA': {'type': 'textarea', 'width': 60},
@@ -1162,8 +1161,8 @@ def create_html_report(df, file=None, task=None, opts=(), progress=gr.Progress(t
             disabled=True, sizing_mode='stretch_both', pagination='local', page_size=30)
 
         for i, col in enumerate(num_cols):
-            if col not in ['Predicted Binding Affinity', 'Actual Binding Affinity']:
-                if col not in ['Predicted Interaction Probability', 'Actual Interaction Probability']:
+            if col not in ['Binding Affinity (IC50 [nM])']:
+                if col not in ['Interaction Probability']:
                     report_table.style.background_gradient(
                         subset=df_html.columns == col, cmap=sns.light_palette(num_col_colors[i], as_cmap=True))
                 else:
@@ -1173,7 +1172,7 @@ def create_html_report(df, file=None, task=None, opts=(), progress=gr.Progress(t
                     subset=df_html.columns == col, cmap=sns.light_palette(num_col_colors[i], as_cmap=True).reversed())
 
         pie_charts = {}
-        for y in df_html.columns.intersection(['Interaction Probability', 'Binding Affinity']):
+        for y in df_html.columns.intersection(['Interaction Probability', 'Binding Affinity (IC50 [nM])']):
             pie_charts[y] = []
             for k in [10, 30, 100]:
                 if k < len(df_html):
@@ -2088,9 +2087,12 @@ QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES
                     gr.Dropdown(value='General') if row['Type'] == 'General' else gr.Dropdown(value=family)}
 
 
-    screen_preset_recommend_btn.click(fn=screen_recommend_model,
-                                      inputs=[target_fasta, drug_screen_target_family, drug_screen_task],
-                                      outputs=[drug_screen_preset, drug_screen_target_family], show_progress='hidden')
+    screen_preset_recommend_btn.click(
+        fn=screen_recommend_model,
+        inputs=[target_fasta, drug_screen_target_family, drug_screen_task],
+        outputs=[drug_screen_preset, drug_screen_target_family],
+        show_progress='hidden'
+    )
 
 
     def compound_input_type_select(input_type):