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signaturizer
Commits
af5e4de2
Commit
af5e4de2
authored
Jul 01, 2020
by
pbadia
Browse files
Solved tf session bug and improved Signaturizer input logic
parent
87f33176
Changes
1
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signaturizer/signaturizer.py
View file @
af5e4de2
...
...
@@ -4,7 +4,7 @@ import h5py
import
itertools
import
numpy
as
np
from
tqdm
import
tqdm
import
tensorflow
as
tf
import
tensorflow
.compat.v1
as
tf
import
tensorflow_hub
as
hub
try
:
from
rdkit
import
Chem
...
...
@@ -31,12 +31,13 @@ class Signaturizer():
base_url(str): The ChemicalChecker getModel API URL.
"""
self
.
verbose
=
verbose
if
model_name
.
upper
()
==
'GLOBAL'
:
models
=
list
(
itertools
.
product
(
"ABCDE"
,
"12345"
))
elif
not
isinstance
(
model_name
,
list
):
models
=
[
model_name
]
else
:
if
isinstance
(
model_name
,
list
):
models
=
model_name
else
:
if
model_name
.
upper
()
==
'GLOBAL'
:
models
=
list
(
itertools
.
product
(
"ABCDE"
,
"12345"
))
else
:
models
=
[
model_name
]
# load modules
self
.
modules
=
list
()
self
.
graph
=
tf
.
Graph
()
...
...
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