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OpenDAS
OpenFold
Commits
42a89403
".github/vscode:/vscode.git/clone" did not exist on "63ce45896bbdf331dc412f808563e17013aed8a6"
Commit
42a89403
authored
Jul 10, 2023
by
Geoffrey Yu
Browse files
update test script
parent
581411fa
Changes
1
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-5
tests/test_multimer_datamodule.py
tests/test_multimer_datamodule.py
+4
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tests/test_multimer_datamodule.py
View file @
42a89403
...
...
@@ -21,7 +21,7 @@ import numpy as np
from
functools
import
partial
import
unittest
from
openfold.config
import
model_config
from
openfold.data.data_modules
import
OpenFoldMultimerDataModule
from
openfold.data.data_modules
import
OpenFoldMultimerDataModule
,
OpenFoldDataModule
import
logging
logger
=
logging
.
getLogger
(
__name__
)
import
os
...
...
@@ -40,12 +40,12 @@ class TestMultimerDataModule(unittest.TestCase):
self
.
data_module
=
OpenFoldMultimerDataModule
(
config
=
self
.
config
.
data
,
batch_seed
=
42
,
train_epoch_len
=
10
,
train_epoch_len
=
10
0
,
template_mmcif_dir
=
"/g/alphafold/AlphaFold_DBs/2.3.0/pdb_mmcif/mmcif_files/"
,
template_release_dates_cache_path
=
os
.
path
.
join
(
os
.
getcwd
(),
"tests/test_data/mmcif_cache.json"
),
max_template_date
=
"2500-01-01"
,
train_data_dir
=
os
.
path
.
join
(
os
.
getcwd
(),
"tests/test_data/mmcifs"
),
train_alignment_dir
=
os
.
path
.
join
(
os
.
getcwd
(),
"tests/test_data/original_alignments/
train
"
),
train_alignment_dir
=
os
.
path
.
join
(
os
.
getcwd
(),
"tests/test_data/original_alignments/"
),
kalign_binary_path
=
shutil
.
which
(
'kalign'
),
train_mmcif_data_cache_path
=
os
.
path
.
join
(
os
.
getcwd
(),
"tests/test_data/train_mmcifs_cache.json"
),
...
...
@@ -57,5 +57,4 @@ class TestMultimerDataModule(unittest.TestCase):
self
.
data_module
.
prepare_data
()
self
.
data_module
.
setup
()
train_dataset
=
self
.
data_module
.
train_dataset
# feats = next(iter(train_dataset))
# print(f"feats keys: {feats.keys()}")
\ No newline at end of file
all_chain_features
,
ground_truth
=
train_dataset
[
0
]
\ No newline at end of file
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