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1 parent 4c19068 commit 17861c9Copy full SHA for 17861c9
profiling/profile_mol_to_graph.py
@@ -67,7 +67,9 @@ def main():
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graphs = []
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for s in tqdm(smiles):
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- mol = dm.to_mol(s) # Doesn't need `ordered=True` because this is just to test the speed of the featurizer
+ mol = dm.to_mol(
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+ s
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+ ) # Doesn't need `ordered=True` because this is just to test the speed of the featurizer
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graphs.append(mol_to_graph_dict(mol, **featurizer))
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print(graphs[0])
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