gabboud commited on
Commit
4f422de
·
1 Parent(s): 0aa9416
Files changed (1) hide show
  1. utils/pipelines.py +2 -2
utils/pipelines.py CHANGED
@@ -71,14 +71,14 @@ def unconditional_generation(num_batches, num_designs_per_batch, length):
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  results = {}
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  for batch in range(num_batches):
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  for design in range(num_designs_per_batch):
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- file_name = os.path.joint(directory, f"_{batch}_{design}.cif.gz")
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  results.append({"batch": batch, "design": design, "file": file_name, "pdb": cif_gz_to_pdb(file_name)})
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  print(results)
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  return directory, results
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  except Exception as e:
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- return f"Error: {str(e)}"
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  def collect_outputs(gen_directory, num_batches, num_designs_per_batch):
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  try:
 
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  results = {}
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  for batch in range(num_batches):
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  for design in range(num_designs_per_batch):
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+ file_name = os.path.join(directory, f"_{batch}_{design}.cif.gz")
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  results.append({"batch": batch, "design": design, "file": file_name, "pdb": cif_gz_to_pdb(file_name)})
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  print(results)
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  return directory, results
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  except Exception as e:
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+ raise RuntimeError(f"Error during generation: {str(e)}")
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  def collect_outputs(gen_directory, num_batches, num_designs_per_batch):
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  try: