misc

app.py

@@ -9,7 +9,7 @@ from atomworks.io.utils.visualize import view
 from lightning.fabric import seed_everything
 from rfd3.engine import RFD3InferenceConfig, RFD3InferenceEngine
 from utils.download_weights import download_weights
-from utils.pipelines import test_rfd3_from_notebook, unconditional_generation, unconditional_generation_with_input_config
+from utils.pipelines import test_rfd3_from_notebook, unconditional_generation, generation_with_input_config
 #from gradio_molecule3d import Molecule3D
 from utils.handle_events import *
 from utils.handle_files import *
@@ -114,12 +114,12 @@ with gr.Blocks(title="RFD3 Test") as demo:
         if config_ready is None or scaffold_ready is None:
             return None, None
         if config_ready == "upload" and scaffold_ready == "no_input":
-            gen_directory, gen_results = unconditional_generation_with_input_config(config_upload, num_batches, num_designs_per_batch, extra_args)
+            gen_directory, gen_results = generation_with_input_config(config_upload, num_batches, num_designs_per_batch, extra_args)
             return gen_directory, gen_results
         else:
             return None, None
         
-    run_btn.click(give_run_status, inputs=[config_ready, scaffold_ready, num_batches, num_designs_per_batch, config_upload], outputs=runtextbox.then(
+    run_btn.click(give_run_status, inputs=[config_ready, scaffold_ready, num_batches, num_designs_per_batch, config_upload], outputs=runtextbox).then(
         generate, inputs=[config_ready, scaffold_ready, num_batches, num_designs_per_batch, config_upload, extra_args], outputs=[gen_directory, gen_results]
     ).then(
         update_batch_choices,

utils/pipelines.py

@@ -99,7 +99,7 @@ def unconditional_generation(num_batches, num_designs_per_batch, length):
         raise RuntimeError(f"Error during generation: {str(e)}")
     
 @spaces.GPU(duration=300) 
-def unconditional_generation_with_input_config(input_file, num_batches, num_designs_per_batch, extra_args):
+def generation_with_input_config(input_file, num_batches, num_designs_per_batch, extra_args):
     """
     Runs an unconditional generation with the specified input config file. Saves the generated structures to a timestamped directory in the outputs folder and returns the path to the directory along with a list of the generated structures' file paths.