Update app.py

app.py

@@ -128,7 +128,7 @@ def show_input(in_fragments, in_protein):
         vis = show_target(in_protein)
     elif in_fragments is not None and in_protein is not None:
         vis = show_fragments_and_target(in_fragments, in_protein)
-    return [vis, gr.Dropdown.update(choices=[], value=None, visible=False), None]
+    return [vis, gr.Dropdown(choices=[], value=None, visible=False), None]
 
 
 def show_fragments(in_fragments):
@@ -170,14 +170,14 @@ def clear_fragments_input(in_protein):
     vis = ''
     if in_protein is not None:
         vis = show_target(in_protein)
-    return [None, vis, gr.Dropdown.update(choices=[], value=None, visible=False), None]
+    return [None, vis, gr.Dropdown(choices=[], value=None, visible=False), None]
 
 
 def clear_protein_input(in_fragments):
     vis = ''
     if in_fragments is not None:
         vis = show_fragments(in_fragments)
-    return [None, vis, gr.Dropdown.update(choices=[], value=None, visible=False), None]
+    return [None, vis, gr.Dropdown(choices=[], value=None, visible=False), None]
 
 
 def click_on_example(example):
@@ -347,7 +347,7 @@ def generate_without_pocket(input_file, n_steps, n_atoms, num_samples, selected_
     return [
         draw_sample(choice, out_files, num_samples),
         out_files,
-        gr.Dropdown.update(
+        gr.Dropdown(
             choices=out_files[2:],
             value=choice,
             visible=True,
@@ -494,7 +494,7 @@ def generate_with_pocket(in_fragments, in_protein, n_steps, n_atoms, num_samples
     return [
         draw_sample(choice, out_files, num_samples),
         out_files,
-        gr.Dropdown.update(
+        gr.Dropdown(
             choices=out_files[3:],
             value=choice,
             visible=True,
@@ -515,56 +515,55 @@ with gr.Blocks(js=output.STARTUP_JS) as demo:
         '[**[Paper]**](https://arxiv.org/abs/2210.05274)    '
         '[**[Code]**](https://github.com/igashov/DiffLinker)'
     )
-    with gr.Group():
-        with gr.Row():
-            with gr.Column():
-                gr.Markdown('## Input')
-                gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
-                input_fragments_file = gr.File(file_count='single', label='Input Fragments')
-                gr.Markdown('Upload the file of the target protein in .pdb format (optionally):')
-                input_protein_file = gr.File(file_count='single', label='Target Protein (Optional)')
-
-                n_steps = gr.Slider(
-                    minimum=MIN_N_STEPS, maximum=MAX_N_STEPS,
-                    label="Number of Denoising Steps", step=10
-                )
-                n_atoms = gr.Slider(
-                    minimum=0, maximum=20,
-                    label="Linker Size: DiffLinker will predict it if set to 0",
-                    step=1
-                )
-                n_samples = gr.Slider(minimum=5, maximum=50, label="Number of Samples", step=5)
-                examples = gr.Dataset(
-                    components=[gr.File(visible=False), gr.File(visible=False)],
-                    samples=[
-                        ['examples/example_1.sdf', ''],
-                        ['examples/example_2.sdf', ''],
-                        ['examples/3hz1_fragments.sdf', 'examples/3hz1_protein.pdb'],
-                        ['examples/5ou2_fragments.sdf', 'examples/5ou2_protein.pdb'],
-                    ],
-                    type='values',
-                    headers=['Input Fragments', 'Target Protein'],
-                ) 
-
-                button = gr.Button('Generate Linker!')
-                gr.Markdown('')
-                gr.Markdown('## Output Files')
-                gr.Markdown('Download files with the generated molecules here:')
-                output_files = gr.File(file_count='multiple', label='Output Files', interactive=False)
-                hidden = gr.Textbox(visible=False)
-            with gr.Column():
-                gr.Markdown('## Visualization')
-                gr.Markdown('**Hint:** click on atoms to select anchor points (optionally)')
-                samples = gr.Dropdown(
-                    choices=[],
-                    value=None,
-                    type='value',
-                    multiselect=False,
-                    visible=False,
-                    interactive=True,
-                    label='Samples'
-                )
-                visualization = gr.HTML()
+    with gr.Row():
+        with gr.Column():
+            gr.Markdown('## Input')
+            gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
+            input_fragments_file = gr.File(file_count='single', label='Input Fragments')
+            gr.Markdown('Upload the file of the target protein in .pdb format (optionally):')
+            input_protein_file = gr.File(file_count='single', label='Target Protein (Optional)')
+
+            n_steps = gr.Slider(
+                minimum=MIN_N_STEPS, maximum=MAX_N_STEPS,
+                label="Number of Denoising Steps", step=10
+            )
+            n_atoms = gr.Slider(
+                minimum=0, maximum=20,
+                label="Linker Size: DiffLinker will predict it if set to 0",
+                step=1
+            )
+            n_samples = gr.Slider(minimum=5, maximum=50, label="Number of Samples", step=5)
+            examples = gr.Dataset(
+                components=[gr.File(visible=False), gr.File(visible=False)],
+                samples=[
+                    ['examples/example_1.sdf', ''],
+                    ['examples/example_2.sdf', ''],
+                    ['examples/3hz1_fragments.sdf', 'examples/3hz1_protein.pdb'],
+                    ['examples/5ou2_fragments.sdf', 'examples/5ou2_protein.pdb'],
+                ],
+                type='values',
+                headers=['Input Fragments', 'Target Protein'],
+            ) 
+
+            button = gr.Button('Generate Linker!')
+            gr.Markdown('')
+            gr.Markdown('## Output Files')
+            gr.Markdown('Download files with the generated molecules here:')
+            output_files = gr.File(file_count='multiple', label='Output Files', interactive=False)
+            hidden = gr.Textbox(visible=False)
+        with gr.Column():
+            gr.Markdown('## Visualization')
+            gr.Markdown('**Hint:** click on atoms to select anchor points (optionally)')
+            samples = gr.Dropdown(
+                choices=[],
+                value=None,
+                type='value',
+                multiselect=False,
+                visible=False,
+                interactive=True,
+                label='Samples'
+            )
+            visualization = gr.HTML()
 
     input_fragments_file.change(
         fn=show_input,