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Runtime error
Update inference_app.py
Browse files- 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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os.system("ls")
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+
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os.system("touch ligand.sdf")
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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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