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OpenDAS
OpenFold
Commits
ef222a31
Commit
ef222a31
authored
Dec 13, 2022
by
Sam DeLuca
Browse files
add long_sequence_inference option to command line
parent
59277de1
Changes
2
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2 deletions
+7
-2
README.md
README.md
+2
-1
run_pretrained_openfold.py
run_pretrained_openfold.py
+5
-1
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README.md
View file @
ef222a31
...
...
@@ -229,7 +229,8 @@ Using the most conservative settings, we were able to run inference on a
offloading mode, ours is considerably faster; the same complex takes the more
efficent AlphaFold-Multimer more than double the time. Use the
`long_sequence_inference`
config option to enable all of these interventions
at once.
at once. The
`run_pretrained_openfold.py`
script can enable this config option with the
`--long_sequence_inference`
command line option
### Training
...
...
run_pretrained_openfold.py
View file @
ef222a31
...
...
@@ -140,7 +140,7 @@ def main(args):
# Create the output directory
os
.
makedirs
(
args
.
output_dir
,
exist_ok
=
True
)
config
=
model_config
(
args
.
config_preset
)
config
=
model_config
(
args
.
config_preset
,
long_sequence_inference
=
args
.
long_sequence_inference
)
if
(
args
.
trace_model
):
if
(
not
config
.
data
.
predict
.
fixed_size
):
...
...
@@ -369,6 +369,10 @@ if __name__ == "__main__":
help
=
""""Whether to output (100 - pLDDT) in the B-factor column instead
of the pLDDT itself"""
)
parser
.
add_argument
(
"--long_sequence_inference"
,
action
=
"store_true"
,
default
=
False
,
help
=
"""enable options to reduce memory usage at the cost of speed, helps longer sequences fit into GPU memory, see the README for details"""
)
add_data_args
(
parser
)
args
=
parser
.
parse_args
()
...
...
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