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'../data/pkl/QED_score.pkl.gz' is missing? #9

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4575759ww opened this issue Oct 9, 2018 · 1 comment
Open

'../data/pkl/QED_score.pkl.gz' is missing? #9

4575759ww opened this issue Oct 9, 2018 · 1 comment

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@4575759ww
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Hi,
First thank for your share about the code, but I had a little difficulty when I reuse ORGANIC in the part of drug discovery, so I want to know where I can find the data about QED_score.pkl.gz, and what exactly does this data include? The relevant code in your work is as follows:

def load_beauty(filename=None):
"""
Loads the parameters required by the chemical
beauty metric.
"""
if filename is None:
filename = os.path.join(MOD_PATH, '../data/pkl/QED_score.pkl.gz')
QED = pickle.load(gzip.open(filename))

Looking forward to your reply.

@QQuueennttiinn
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QQuueennttiinn commented Jul 12, 2023

I have the same problem, did you find a solution ?

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