Tonic commited on
Commit
ca86d3c
1 Parent(s): a653c8d

add decorators to visualizers instead of main function

Browse files
Files changed (1) hide show
  1. app.py +5 -3
app.py CHANGED
@@ -225,7 +225,8 @@ def run_structure_prediction(protein: ESMProtein, temperature: float, num_steps:
225
  except Exception as e:
226
  print(f"Error during structure prediction: {str(e)}")
227
  return None
228
-
 
229
  def align_after_prediction(protein: ESMProtein, structure_prediction: ESMProtein) -> tuple[ESMProtein, float]:
230
  if structure_prediction is None:
231
  return None, float('inf')
@@ -261,7 +262,8 @@ def align_after_prediction(protein: ESMProtein, structure_prediction: ESMProtein
261
  except Exception as e:
262
  print(f"Unexpected error during alignment: {str(e)}")
263
  return None, float('inf')
264
-
 
265
  def visualize_after_pred(protein: ESMProtein, aligned: ESMProtein):
266
  if aligned is None:
267
  return None
@@ -284,6 +286,7 @@ def protein_to_pdb(protein: ESMProtein):
284
  pdb_str += f"ATOM {i*37+j+1:5d} {atom:3s} {aa:3s} A{i+1:4d} {x:8.3f}{y:8.3f}{z:8.3f}\n"
285
  return pdb_str
286
 
 
287
  def prediction_visualization(pdb_file, num_runs: int, noise_level: float, num_frames: int, temperature: float, num_steps: int, progress=gr.Progress()):
288
  protein = get_protein(pdb_file)
289
  runs = []
@@ -310,7 +313,6 @@ def prediction_visualization(pdb_file, num_runs: int, noise_level: float, num_fr
310
  view_data = visualize_after_pred(protein, best_aligned[1])
311
  return view_data, f"Best cRMSD: {best_aligned[0]:.4f}"
312
 
313
- @spaces.GPU
314
  def run_prediction(pdb_file, num_runs, noise_level, num_frames, temperature, num_steps, progress=gr.Progress()):
315
  try:
316
  if pdb_file is None:
 
225
  except Exception as e:
226
  print(f"Error during structure prediction: {str(e)}")
227
  return None
228
+
229
+ @spaces.GPU
230
  def align_after_prediction(protein: ESMProtein, structure_prediction: ESMProtein) -> tuple[ESMProtein, float]:
231
  if structure_prediction is None:
232
  return None, float('inf')
 
262
  except Exception as e:
263
  print(f"Unexpected error during alignment: {str(e)}")
264
  return None, float('inf')
265
+
266
+ @spaces.GPU
267
  def visualize_after_pred(protein: ESMProtein, aligned: ESMProtein):
268
  if aligned is None:
269
  return None
 
286
  pdb_str += f"ATOM {i*37+j+1:5d} {atom:3s} {aa:3s} A{i+1:4d} {x:8.3f}{y:8.3f}{z:8.3f}\n"
287
  return pdb_str
288
 
289
+ @spaces.GPU
290
  def prediction_visualization(pdb_file, num_runs: int, noise_level: float, num_frames: int, temperature: float, num_steps: int, progress=gr.Progress()):
291
  protein = get_protein(pdb_file)
292
  runs = []
 
313
  view_data = visualize_after_pred(protein, best_aligned[1])
314
  return view_data, f"Best cRMSD: {best_aligned[0]:.4f}"
315
 
 
316
  def run_prediction(pdb_file, num_runs, noise_level, num_frames, temperature, num_steps, progress=gr.Progress()):
317
  try:
318
  if pdb_file is None: