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Hi, Just noticed that you are using very long radius to generate MorganFingerprints. for example:
ORGANIC/model/custom_metrics.py
Lines 56 to 57 in b372937
ORGANIC/model/nn_metrics.py
Lines 191 to 192 in b372937
The text was updated successfully, but these errors were encountered:
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Hi,
Just noticed that you are using very long radius to generate MorganFingerprints.
for example:
ORGANIC/model/custom_metrics.py
Lines 56 to 57 in b372937
and
ORGANIC/model/nn_metrics.py
Lines 191 to 192 in b372937
any reasons for those long radius?
Thanks!
The text was updated successfully, but these errors were encountered: