simonduerr commited on
Commit
3064a09
·
verified ·
1 Parent(s): aad52f9

Update inference_app.py

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Files changed (1) hide show
  1. inference_app.py +2 -2
inference_app.py CHANGED
@@ -123,8 +123,8 @@ def run_docking(protein, ligand):
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  def predict (input_sequence, input_ligand,input_msa, input_protein):
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  start_time = time.time()
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- protonate_receptor_and_ligand(input_protein, input_ligand)
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- generate_conformers(input_protein, input_ligand)
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  cnn_score = run_docking(input_protein, input_ligand)
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  metrics = {"cnn_score": cnn_score}
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  end_time = time.time()
 
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  def predict (input_sequence, input_ligand,input_msa, input_protein):
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  start_time = time.time()
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+ protonate_receptor_and_ligand(input_protein)
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+ generate_conformers(input_ligand)
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  cnn_score = run_docking(input_protein, input_ligand)
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  metrics = {"cnn_score": cnn_score}
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  end_time = time.time()