danielkovtun commited on
Commit
be507b5
·
1 Parent(s): eba44c7

chore: join the input filenames

Browse files
Files changed (1) hide show
  1. inference_app.py +3 -5
inference_app.py CHANGED
@@ -38,8 +38,8 @@ def predict(
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  # Random translations sampled along 0-50 angstroms per axis
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  translation_magnitudes = np.linspace(
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- 0, M + 1,
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- num=M + 1,
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  endpoint=False
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  )
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  # generate one pose at a time
@@ -67,9 +67,7 @@ def predict(
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  output_dir = Path(receptor_pdb).parent
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  # System ID
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- pdb_name = "--".join([
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- Path(receptor_pdb).stem.rstrip("-R"), Path(ligand_pdb).stem.rstrip("-L")
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- ]) + ".pdb"
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  output_pdb = output_dir / pdb_name
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  write_pdb(best_pose, output_pdb)
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  end_time = time.time()
 
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  # Random translations sampled along 0-50 angstroms per axis
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  translation_magnitudes = np.linspace(
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+ 0, 26,
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+ num=26,
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  endpoint=False
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  )
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  # generate one pose at a time
 
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  output_dir = Path(receptor_pdb).parent
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  # System ID
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+ pdb_name = Path(receptor_pdb).stem + "--" + Path(ligand_pdb).name
 
 
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  output_pdb = output_dir / pdb_name
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  write_pdb(best_pose, output_pdb)
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  end_time = time.time()