change layout for number of batches and designs

app.py

@@ -48,6 +48,19 @@ with gr.Blocks(title="RFD3 Test") as demo:
         with gr.Column(scale=1):  # Left half
             gr.Markdown("Set up the configuration for your run through a valid yaml file. Choose the number of batches and designs per batch for your run.")
             config_upload = gr.File(label="Config file: .yaml or .json", file_types=[".pdb", ".yaml", ".json"])
+            config_validation_btn = gr.Button("Validate Config")
+            config_textbox = gr.Textbox(label="Configuration status", value ="Waiting for config validation...")
+
+
+        with gr.Column(scale=1):  # Right half
+            gr.Markdown("Upload your target/scaffold structure as a PDB file to condition the generation. Press 'No Scaffold/Target' if you want to run an unconditional generation.")
+            scaffold_upload = gr.File(label="Target/Scaffold PDB", file_types=[".pdb"])
+            with gr.Row():
+                scaffold_validation_btn = gr.Button("Validate Scaffold")
+                no_input_btn = gr.Button("No Scaffold/Target")
+            scaffold_textbox = gr.Textbox(label="Scaffold/Target status", value ="Waiting for scaffold validation...")
+
+    with gr.Row():
             num_designs_per_batch = gr.Number(
                 value=2,
                 label="Number of Designs per Batch",
@@ -63,30 +76,20 @@ with gr.Blocks(title="RFD3 Test") as demo:
                 maximum=10
             )
 
-            config_validation_btn = gr.Button("Validate Config")
-            config_textbox = gr.Textbox(label="Configuration status", value ="Waiting for config validation...")
-
-            with gr.Accordion(label="Advanced Options", open=False):
-                extra_args = gr.Textbox(
-                    label="Additional CLI Arguments",
-                    placeholder="e.g., inference_sampler.step_scale=3 inference_sampler.gamma_0=0.2",
-                    lines=3,
-                    info="Add extra RFD3 CLI arguments here (optional)"
-                )
+    with gr.Accordion(label="Advanced Options", open=False):
+        extra_args = gr.Textbox(
+            label="Additional CLI Arguments",
+            placeholder="e.g., inference_sampler.step_scale=3 inference_sampler.gamma_0=0.2",
+            lines=3,
+            info="Add extra RFD3 CLI arguments here (optional)"
+        )
 
-        with gr.Column(scale=1):  # Right half
-            gr.Markdown("Upload your target/scaffold structure as a PDB file to condition the generation. Press 'No Scaffold/Target' if you want to run an unconditional generation.")
-            scaffold_upload = gr.File(label="Target/Scaffold PDB", file_types=[".pdb"])
-            with gr.Row():
-                scaffold_validation_btn = gr.Button("Validate Scaffold")
-                no_input_btn = gr.Button("No Scaffold/Target")
-            scaffold_textbox = gr.Textbox(label="Scaffold/Target status", value ="Waiting for scaffold validation...")
     run_btn = gr.Button("Run Generation", variant="primary")
     runtextbox = gr.Textbox(label="Run status", value="Waiting for generation run...")
 
 
     # validate the configuration
-    config_validation_btn.click(validate_config_ready, inputs=[config_upload, num_designs_per_batch, num_batches], outputs=[config_textbox, config_ready])
+    config_validation_btn.click(validate_config_ready, inputs=config_upload, outputs=[config_textbox, config_ready])
     scaffold_validation_btn.click(validate_scaffold_ready_with_file, inputs=scaffold_upload, outputs=[scaffold_textbox, scaffold_ready])
     no_input_btn.click(lambda: ("No scaffold/target will be used. Ready for unconditional generation!", "no_input"), outputs=[scaffold_textbox, scaffold_ready])
 

utils/handle_events.py

@@ -59,32 +59,26 @@ def show_pdb(batch, design, result):
     print(pdb_str)
     return gr.update(value=f"Selected Batch: {batch}, Design: {design}, saved at {pdb_path}:\n {pdb_str}", visible=True)
 
-def validate_config_ready(config_upload, num_designs_per_batch, num_batches):
+def validate_config_ready(config_upload):
     """
     Once the user presses on the Validate Config button, this function checks whether the config is really ready to go.
-    It is ready if the config file is uploaded and the number of batches and designs per batch are specified.
+    It is ready if the config file is uploaded.
 
     Parameters:
     ----------
 
     config_upload: gr.File
         uploaded config file, is None if no file is uploaded
-    num_designs_per_batch: gr.Number
-        number of designs per batch input by the user in the manual config.
-    num_batches: gr.Number
-        number of batches input by the user in the manual config.
+
 
     Returns:
     -------
     str: message to the user about the status of the config validation
-    str: status string. "manual" if manual config is selected and valid, "upload" if upload, and None if config is not ready for generation.
+    str: "upload" if upload, and None if config is not ready for generation.
     """
-    for num in [num_designs_per_batch, num_batches]:
-            if num is None:
-                return "Please fill in all the parameters for manual config to be ready for generation.", None
     if config_upload is None:
         return "Please upload a config file for the generation to be ready.", None
-    return "Config file uploaded and valid! Number of batches and designs validated!", "upload"
+    return "Config file uploaded!", "upload"
 
     
 def validate_scaffold_ready_with_file(scaffold_upload):