fix import
Browse files- pdbbind.py +1 -0
- pdbbind.slurm +1 -0
pdbbind.py
CHANGED
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@@ -13,6 +13,7 @@ from rdkit import Chem
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import os
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import re
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# all punctuation
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punctuation_regex = r"""(\(|\)|\.|=|#|-|\+|\\|\/|:|~|@|\?|>>?|\*|\$|\%[0-9]{2}|[0-9])"""
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import os
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import re
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import sys
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# all punctuation
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punctuation_regex = r"""(\(|\)|\.|=|#|-|\+|\\|\/|:|~|@|\?|>>?|\*|\$|\%[0-9]{2}|[0-9])"""
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pdbbind.slurm
CHANGED
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@@ -9,3 +9,4 @@
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srun python pdbbind.py 5
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srun python pdbbind.py 8
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srun python pdbbind.py 11
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srun python pdbbind.py 5
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srun python pdbbind.py 8
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srun python pdbbind.py 11
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srun python pdbbind.py 15
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