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OpenDAS
OpenFold
Commits
d0f5531b
Commit
d0f5531b
authored
Nov 06, 2023
by
Christina Floristean
Browse files
Another fix for dummy msa feature creation
parent
e67d0417
Changes
1
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1 changed file
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13 additions
and
8 deletions
+13
-8
openfold/data/data_pipeline.py
openfold/data/data_pipeline.py
+13
-8
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openfold/data/data_pipeline.py
View file @
d0f5531b
...
...
@@ -272,14 +272,19 @@ def run_msa_tool(
return
result
# Generate 1-sequence MSA features having only the input sequence
def
make_dummy_msa_feats
(
input_sequence
)
->
parsers
.
Msa
:
def
make_dummy_msa_obj
(
input_sequence
)
->
parsers
.
Msa
:
deletion_matrix
=
[[
0
for
_
in
input_sequence
]]
return
parsers
.
Msa
(
sequences
=
input_sequence
,
return
parsers
.
Msa
(
sequences
=
[
input_sequence
]
,
deletion_matrix
=
deletion_matrix
,
descriptions
=
None
)
# Generate 1-sequence MSA features having only the input sequence
def
make_dummy_msa_feats
(
input_sequence
)
->
FeatureDict
:
msa_data_obj
=
make_dummy_msa_obj
(
input_sequence
)
return
make_msa_features
([
msa_data_obj
])
def
make_sequence_features_with_custom_template
(
sequence
:
str
,
mmcif_path
:
str
,
...
...
@@ -810,7 +815,7 @@ class DataPipeline:
"""
)
msa_data
[
"dummy"
]
=
make_dummy_msa_
feats
(
input_sequence
)
msa_data
[
"dummy"
]
=
make_dummy_msa_
obj
(
input_sequence
)
return
list
(
msa_data
.
values
())
...
...
@@ -885,7 +890,7 @@ class DataPipeline:
sequence_embedding_features
=
{}
# If using seqemb mode, generate a dummy MSA features using just the sequence
if
seqemb_mode
:
msa_features
=
[
make_dummy_msa_feats
(
input_sequence
)
]
msa_features
=
make_dummy_msa_feats
(
input_sequence
)
sequence_embedding_features
=
self
.
_process_seqemb_features
(
alignment_dir
)
else
:
msa_features
=
self
.
_process_msa_feats
(
alignment_dir
,
input_sequence
,
alignment_index
)
...
...
@@ -935,7 +940,7 @@ class DataPipeline:
sequence_embedding_features
=
{}
# If using seqemb mode, generate a dummy MSA features using just the sequence
if
seqemb_mode
:
msa_features
=
[
make_dummy_msa_feats
(
input_sequence
)
]
msa_features
=
make_dummy_msa_feats
(
input_sequence
)
sequence_embedding_features
=
self
.
_process_seqemb_features
(
alignment_dir
)
else
:
msa_features
=
self
.
_process_msa_feats
(
alignment_dir
,
input_sequence
,
alignment_index
)
...
...
@@ -992,7 +997,7 @@ class DataPipeline:
sequence_embedding_features
=
{}
# If in sequence embedding mode, generate dummy MSA features using just the input sequence
if
seqemb_mode
:
msa_features
=
[
make_dummy_msa_feats
(
input_sequence
)
]
msa_features
=
make_dummy_msa_feats
(
input_sequence
)
sequence_embedding_features
=
self
.
_process_seqemb_features
(
alignment_dir
)
else
:
msa_features
=
self
.
_process_msa_feats
(
alignment_dir
,
input_sequence
,
alignment_index
)
...
...
@@ -1032,7 +1037,7 @@ class DataPipeline:
sequence_embedding_features
=
{}
# If in sequence embedding mode, generate dummy MSA features using just the input sequence
if
seqemb_mode
:
msa_features
=
[
make_dummy_msa_feats
(
input_sequence
)
]
msa_features
=
make_dummy_msa_feats
(
input_sequence
)
sequence_embedding_features
=
self
.
_process_seqemb_features
(
alignment_dir
)
else
:
msa_features
=
self
.
_process_msa_feats
(
alignment_dir
,
input_sequence
)
...
...
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