simonduerr commited on
Commit
f1fe378
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1 Parent(s): 4bfd1f2

Update inference_app.py

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  1. inference_app.py +6 -0
inference_app.py CHANGED
@@ -27,6 +27,12 @@ from enspara import geometry
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  from sklearn.cluster import DBSCAN
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  import pandas as pd
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  def run_smina(
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  ligand_path, protein_path, out_path, pocket_center, pocket_size, num_poses=1, exhaustiveness=1
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  ):
 
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  from sklearn.cluster import DBSCAN
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  import pandas as pd
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+ os.system("pwd")
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+
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+ os.system("ls")
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+
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+ os.system("touch ligand.sdf")
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+
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  def run_smina(
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  ligand_path, protein_path, out_path, pocket_center, pocket_size, num_poses=1, exhaustiveness=1
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  ):