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28334db3
Commit
28334db3
authored
Sep 18, 2023
by
Sachin Kadyan
Browse files
Added test for no column attention Evoformer
parent
a7c0d0d1
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tests/test_evoformer.py
tests/test_evoformer.py
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tests/test_evoformer.py
View file @
28334db3
...
@@ -66,6 +66,7 @@ class TestEvoformerStack(unittest.TestCase):
...
@@ -66,6 +66,7 @@ class TestEvoformerStack(unittest.TestCase):
msa_dropout
,
msa_dropout
,
pair_stack_dropout
,
pair_stack_dropout
,
blocks_per_ckpt
=
None
,
blocks_per_ckpt
=
None
,
no_column_attention
=
False
,
inf
=
inf
,
inf
=
inf
,
eps
=
eps
,
eps
=
eps
,
).
eval
()
).
eval
()
...
@@ -86,6 +87,62 @@ class TestEvoformerStack(unittest.TestCase):
...
@@ -86,6 +87,62 @@ class TestEvoformerStack(unittest.TestCase):
self
.
assertTrue
(
z
.
shape
==
shape_z_before
)
self
.
assertTrue
(
z
.
shape
==
shape_z_before
)
self
.
assertTrue
(
s
.
shape
==
(
batch_size
,
n_res
,
c_s
))
self
.
assertTrue
(
s
.
shape
==
(
batch_size
,
n_res
,
c_s
))
def
test_shape_without_column_attention
(
self
):
batch_size
=
consts
.
batch_size
n_seq
=
consts
.
n_seq
n_res
=
consts
.
n_res
c_m
=
consts
.
c_m
c_z
=
consts
.
c_z
c_hidden_msa_att
=
12
c_hidden_opm
=
17
c_hidden_mul
=
19
c_hidden_pair_att
=
14
c_s
=
consts
.
c_s
no_heads_msa
=
3
no_heads_pair
=
7
no_blocks
=
2
transition_n
=
2
msa_dropout
=
0.15
pair_stack_dropout
=
0.25
inf
=
1e9
eps
=
1e-10
es
=
EvoformerStack
(
c_m
,
c_z
,
c_hidden_msa_att
,
c_hidden_opm
,
c_hidden_mul
,
c_hidden_pair_att
,
c_s
,
no_heads_msa
,
no_heads_pair
,
no_blocks
,
transition_n
,
msa_dropout
,
pair_stack_dropout
,
blocks_per_ckpt
=
None
,
no_column_attention
=
True
,
inf
=
inf
,
eps
=
eps
,
).
eval
()
m_init
=
torch
.
rand
((
batch_size
,
n_seq
,
n_res
,
c_m
))
z_init
=
torch
.
rand
((
batch_size
,
n_res
,
n_res
,
c_z
))
msa_mask
=
torch
.
randint
(
0
,
2
,
size
=
(
batch_size
,
n_seq
,
n_res
))
pair_mask
=
torch
.
randint
(
0
,
2
,
size
=
(
batch_size
,
n_res
,
n_res
))
shape_m_before
=
m_init
.
shape
shape_z_before
=
z_init
.
shape
m
,
z
,
s
=
es
(
m_init
,
z_init
,
chunk_size
=
4
,
msa_mask
=
msa_mask
,
pair_mask
=
pair_mask
)
self
.
assertTrue
(
m
.
shape
==
shape_m_before
)
self
.
assertTrue
(
z
.
shape
==
shape_z_before
)
self
.
assertTrue
(
s
.
shape
==
(
batch_size
,
n_res
,
c_s
))
@
compare_utils
.
skip_unless_alphafold_installed
()
@
compare_utils
.
skip_unless_alphafold_installed
()
def
test_compare
(
self
):
def
test_compare
(
self
):
def
run_ei
(
activations
,
masks
):
def
run_ei
(
activations
,
masks
):
...
...
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