examples

app.py

@@ -157,15 +157,23 @@ def generate(input_file):
 demo = gr.Blocks()
 with demo:
     gr.Markdown('# DiffLinker: Equivariant 3D-Conditional Diffusion Model for Molecular Linker Design')
+    visualization = gr.Variable()
     with gr.Box():
         with gr.Row():
             with gr.Column():
                 gr.Markdown('## Input Fragments')
                 gr.Markdown('Upload the file with 3D-coordinates of the input fragments in .pdb, .mol2 or .sdf format:')
-                input_file = gr.File(file_count='single', label='Input Fragments')
+                input_file = gr.File(
+                    # value='examples/example_1.sdf',
+                    file_count='single',
+                    label='Input Fragments'
+                )
                 examples = gr.Examples(
                     examples=[['examples/example_1.sdf'], ['examples/example_2.sdf']],
                     inputs=[input_file],
+                    outputs=[visualization],
+                    fn=show_input,
+                    run_on_click=True,
                 )
                 button = gr.Button('Generate Linker!')
                 gr.Markdown('')
@@ -175,10 +183,6 @@ with demo:
             with gr.Column():
                 visualization = gr.HTML()
 
-    examples.outputs = [visualization]
-    examples.fn = show_input
-    examples.run_on_click = True
-
     input_file.change(
         fn=show_input,
         inputs=[input_file],