Commit 8aafccc9 authored by Carlos GO's avatar Carlos GO
Browse files


parent 95ca2e25
......@@ -18,6 +18,8 @@ from decoy_finder import *
def build_decoy_dict(lig_dict, decoy_dict=None):
""" Build decoys for ligand dictionary.
Dictionary contains SMILES (value) for each ligand ID (key)
You can pass an already started decoy_dict, if None starts a new
decoy dictionary.
#dict: {'lig_code': [(lig_fp, [decoy_fps])]}
if not decoy_dict:
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