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signaturizer
Commits
1a6f6f69
Commit
1a6f6f69
authored
Jul 02, 2020
by
Martino Bertoni
🌋
Browse files
fixed print
parent
3fc3d3fa
Changes
1
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Inline
Side-by-side
signaturizer/signaturizer.py
View file @
1a6f6f69
...
...
@@ -110,7 +110,7 @@ class Signaturizer(object):
calc_s0
=
np
.
array
(
bin_s0
).
astype
(
np
.
float32
)
except
Exception
as
err
:
# in case of failure save idx to fill NaNs
print
(
"SKIPPING %s: %s"
,
mol_smiles
,
str
(
err
))
print
(
"SKIPPING %s: %s"
%
(
mol_smiles
,
str
(
err
))
)
failed
.
append
(
idx
)
calc_s0
=
np
.
full
((
2048
,
),
np
.
nan
)
finally
:
...
...
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