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ModelZoo
alphafold2_jax
Commits
1e216f93
Commit
1e216f93
authored
Jul 27, 2021
by
Tom Ward
Committed by
Copybara-Service
Jul 27, 2021
Browse files
Fix import ordering.
PiperOrigin-RevId: 387085679 Change-Id: I73287fcd0a29e899543b64c596e306195a2f435e
parent
c9e6fedb
Changes
38
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20 changed files
with
38 additions
and
64 deletions
+38
-64
alphafold/common/protein.py
alphafold/common/protein.py
+2
-4
alphafold/common/protein_test.py
alphafold/common/protein_test.py
+1
-2
alphafold/common/residue_constants.py
alphafold/common/residue_constants.py
+1
-1
alphafold/common/residue_constants_test.py
alphafold/common/residue_constants_test.py
+1
-2
alphafold/data/mmcif_parsing.py
alphafold/data/mmcif_parsing.py
+1
-1
alphafold/data/parsers.py
alphafold/data/parsers.py
+2
-3
alphafold/data/pipeline.py
alphafold/data/pipeline.py
+3
-5
alphafold/data/templates.py
alphafold/data/templates.py
+4
-5
alphafold/data/tools/hmmbuild.py
alphafold/data/tools/hmmbuild.py
+1
-3
alphafold/data/tools/hmmsearch.py
alphafold/data/tools/hmmsearch.py
+1
-3
alphafold/model/all_atom.py
alphafold/model/all_atom.py
+3
-5
alphafold/model/all_atom_test.py
alphafold/model/all_atom_test.py
+1
-1
alphafold/model/config.py
alphafold/model/config.py
+1
-2
alphafold/model/data.py
alphafold/model/data.py
+1
-3
alphafold/model/features.py
alphafold/model/features.py
+2
-4
alphafold/model/folding.py
alphafold/model/folding.py
+5
-7
alphafold/model/layer_stack_test.py
alphafold/model/layer_stack_test.py
+1
-2
alphafold/model/lddt_test.py
alphafold/model/lddt_test.py
+1
-1
alphafold/model/model.py
alphafold/model/model.py
+3
-5
alphafold/model/modules.py
alphafold/model/modules.py
+3
-5
No files found.
alphafold/common/protein.py
View file @
1e216f93
...
...
@@ -13,15 +13,13 @@
# limitations under the License.
"""Protein data type."""
import
dataclasses
import
io
from
typing
import
Any
,
Mapping
,
Optional
from
alphafold.common
import
residue_constants
from
Bio.PDB
import
PDBParser
import
dataclasses
import
numpy
as
np
from
alphafold.common
import
residue_constants
FeatureDict
=
Mapping
[
str
,
np
.
ndarray
]
ModelOutput
=
Mapping
[
str
,
Any
]
# Is a nested dict.
...
...
alphafold/common/protein_test.py
View file @
1e216f93
...
...
@@ -18,10 +18,9 @@ import os
from
absl.testing
import
absltest
from
absl.testing
import
parameterized
import
numpy
as
np
from
alphafold.common
import
protein
from
alphafold.common
import
residue_constants
import
numpy
as
np
# Internal import (7716).
TEST_DATA_DIR
=
'alphafold/common/testdata/'
...
...
alphafold/common/residue_constants.py
View file @
1e216f93
...
...
@@ -16,7 +16,7 @@
import
collections
import
functools
from
typing
import
Mapping
,
List
,
Tuple
from
typing
import
List
,
Mapping
,
Tuple
import
numpy
as
np
import
tree
...
...
alphafold/common/residue_constants_test.py
View file @
1e216f93
...
...
@@ -16,9 +16,8 @@
from
absl.testing
import
absltest
from
absl.testing
import
parameterized
import
numpy
as
np
from
alphafold.common
import
residue_constants
import
numpy
as
np
class
ResidueConstantsTest
(
parameterized
.
TestCase
):
...
...
alphafold/data/mmcif_parsing.py
View file @
1e216f93
...
...
@@ -14,13 +14,13 @@
"""Parses the mmCIF file format."""
import
collections
import
dataclasses
import
io
from
typing
import
Any
,
Mapping
,
Optional
,
Sequence
,
Tuple
from
absl
import
logging
from
Bio
import
PDB
from
Bio.Data
import
SCOPData
import
dataclasses
# Type aliases:
ChainId
=
str
...
...
alphafold/data/parsers.py
View file @
1e216f93
...
...
@@ -14,11 +14,10 @@
"""Functions for parsing various file formats."""
import
collections
import
dataclasses
import
re
import
string
from
typing
import
Iterable
,
List
,
Optional
,
Sequence
,
Tuple
,
Dict
import
dataclasses
from
typing
import
Dict
,
Iterable
,
List
,
Optional
,
Sequence
,
Tuple
DeletionMatrix
=
Sequence
[
Sequence
[
int
]]
...
...
alphafold/data/pipeline.py
View file @
1e216f93
...
...
@@ -16,17 +16,15 @@
import
os
from
typing
import
Mapping
,
Optional
,
Sequence
import
numpy
as
np
# Internal import (7716).
from
alphafold.common
import
residue_constants
from
alphafold.data
import
parsers
from
alphafold.data
import
templates
from
alphafold.data.tools
import
hhblits
from
alphafold.data.tools
import
hhsearch
from
alphafold.data.tools
import
jackhmmer
import
numpy
as
np
# Internal import (7716).
FeatureDict
=
Mapping
[
str
,
np
.
ndarray
]
...
...
alphafold/data/templates.py
View file @
1e216f93
...
...
@@ -13,6 +13,7 @@
# limitations under the License.
"""Functions for getting templates and calculating template features."""
import
dataclasses
import
datetime
import
glob
import
os
...
...
@@ -20,15 +21,13 @@ import re
from
typing
import
Any
,
Dict
,
Mapping
,
Optional
,
Sequence
,
Tuple
from
absl
import
logging
import
dataclasses
import
numpy
as
np
# Internal import (7716).
from
alphafold.common
import
residue_constants
from
alphafold.data
import
mmcif_parsing
from
alphafold.data
import
parsers
from
alphafold.data.tools
import
kalign
import
numpy
as
np
# Internal import (7716).
class
Error
(
Exception
):
...
...
alphafold/data/tools/hmmbuild.py
View file @
1e216f93
...
...
@@ -19,10 +19,8 @@ import re
import
subprocess
from
absl
import
logging
# Internal import (7716).
from
alphafold.data.tools
import
utils
# Internal import (7716).
class
Hmmbuild
(
object
):
...
...
alphafold/data/tools/hmmsearch.py
View file @
1e216f93
...
...
@@ -19,10 +19,8 @@ import subprocess
from
typing
import
Optional
,
Sequence
from
absl
import
logging
# Internal import (7716).
from
alphafold.data.tools
import
utils
# Internal import (7716).
class
Hmmsearch
(
object
):
...
...
alphafold/model/all_atom.py
View file @
1e216f93
...
...
@@ -34,15 +34,13 @@ the network to facilitate easier conversion to existing protein datastructures.
"""
from
typing
import
Dict
,
Optional
import
jax
import
jax.numpy
as
jnp
import
numpy
as
np
from
alphafold.common
import
residue_constants
from
alphafold.model
import
r3
from
alphafold.model
import
utils
import
jax
import
jax.numpy
as
jnp
import
numpy
as
np
def
squared_difference
(
x
,
y
):
...
...
alphafold/model/all_atom_test.py
View file @
1e216f93
...
...
@@ -16,9 +16,9 @@
from
absl.testing
import
absltest
from
absl.testing
import
parameterized
import
numpy
as
np
from
alphafold.model
import
all_atom
from
alphafold.model
import
r3
import
numpy
as
np
L1_CLAMP_DISTANCE
=
10
...
...
alphafold/model/config.py
View file @
1e216f93
...
...
@@ -14,9 +14,8 @@
"""Model config."""
import
copy
import
ml_collections
from
alphafold.model.tf
import
shape_placeholders
import
ml_collections
NUM_RES
=
shape_placeholders
.
NUM_RES
...
...
alphafold/model/data.py
View file @
1e216f93
...
...
@@ -17,11 +17,9 @@
import
io
import
os
from
typing
import
List
from
alphafold.model
import
utils
import
haiku
as
hk
import
numpy
as
np
from
alphafold.model
import
utils
# Internal import (7716).
...
...
alphafold/model/features.py
View file @
1e216f93
...
...
@@ -15,14 +15,12 @@
"""Code to generate processed features."""
import
copy
from
typing
import
List
,
Mapping
,
Tuple
from
alphafold.model.tf
import
input_pipeline
from
alphafold.model.tf
import
proteins_dataset
import
ml_collections
import
numpy
as
np
import
tensorflow.compat.v1
as
tf
from
alphafold.model.tf
import
input_pipeline
from
alphafold.model.tf
import
proteins_dataset
FeatureDict
=
Mapping
[
str
,
np
.
ndarray
]
...
...
alphafold/model/folding.py
View file @
1e216f93
...
...
@@ -16,13 +16,6 @@
import
functools
from
typing
import
Dict
import
haiku
as
hk
import
jax
import
jax.numpy
as
jnp
import
ml_collections
import
numpy
as
np
from
alphafold.common
import
residue_constants
from
alphafold.model
import
all_atom
from
alphafold.model
import
common_modules
...
...
@@ -30,6 +23,11 @@ from alphafold.model import prng
from
alphafold.model
import
quat_affine
from
alphafold.model
import
r3
from
alphafold.model
import
utils
import
haiku
as
hk
import
jax
import
jax.numpy
as
jnp
import
ml_collections
import
numpy
as
np
def
squared_difference
(
x
,
y
):
...
...
alphafold/model/layer_stack_test.py
View file @
1e216f93
...
...
@@ -17,14 +17,13 @@
import
functools
from
absl.testing
import
absltest
from
absl.testing
import
parameterized
from
alphafold.model
import
layer_stack
import
haiku
as
hk
import
jax
import
jax.numpy
as
jnp
import
numpy
as
np
import
scipy
from
alphafold.model
import
layer_stack
# Suffixes applied by Haiku for repeated module names.
suffixes
=
[
''
]
+
[
f
'_
{
i
}
'
for
i
in
range
(
1
,
100
)]
...
...
alphafold/model/lddt_test.py
View file @
1e216f93
...
...
@@ -16,8 +16,8 @@
from
absl.testing
import
absltest
from
absl.testing
import
parameterized
import
numpy
as
np
from
alphafold.model
import
lddt
import
numpy
as
np
class
LddtTest
(
parameterized
.
TestCase
,
absltest
.
TestCase
):
...
...
alphafold/model/model.py
View file @
1e216f93
...
...
@@ -16,6 +16,9 @@
from
typing
import
Any
,
Mapping
,
Optional
,
Union
from
absl
import
logging
from
alphafold.common
import
confidence
from
alphafold.model
import
features
from
alphafold.model
import
modules
import
haiku
as
hk
import
jax
import
ml_collections
...
...
@@ -23,10 +26,6 @@ import numpy as np
import
tensorflow.compat.v1
as
tf
import
tree
from
alphafold.common
import
confidence
from
alphafold.model
import
features
from
alphafold.model
import
modules
def
get_confidence_metrics
(
prediction_result
:
Mapping
[
str
,
Any
])
->
Mapping
[
str
,
Any
]:
...
...
@@ -140,4 +139,3 @@ class RunModel:
logging
.
info
(
'Output shape was %s'
,
tree
.
map_structure
(
lambda
x
:
x
.
shape
,
result
))
return
result
alphafold/model/modules.py
View file @
1e216f93
...
...
@@ -17,11 +17,6 @@
The structure generation code is in 'folding.py'.
"""
import
functools
import
haiku
as
hk
import
jax
import
jax.numpy
as
jnp
from
alphafold.common
import
residue_constants
from
alphafold.model
import
all_atom
from
alphafold.model
import
common_modules
...
...
@@ -32,6 +27,9 @@ from alphafold.model import mapping
from
alphafold.model
import
prng
from
alphafold.model
import
quat_affine
from
alphafold.model
import
utils
import
haiku
as
hk
import
jax
import
jax.numpy
as
jnp
def
softmax_cross_entropy
(
logits
,
labels
):
...
...
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