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OpenDAS
OpenFold
Commits
5e1af36e
"pcdet/ops/pointnet2/vscode:/vscode.git/clone" did not exist on "183d353a05005a0eb625b8ee69d3aea503a46b81"
Commit
5e1af36e
authored
Jun 28, 2023
by
Geoffrey Yu
Browse files
update the compue_tm function
parent
c69053e5
Changes
1
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openfold/utils/loss.py
openfold/utils/loss.py
+5
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openfold/utils/loss.py
View file @
5e1af36e
...
...
@@ -694,8 +694,11 @@ def compute_tm(
predicted_tm_term
=
torch
.
sum
(
probs
*
tm_per_bin
,
dim
=-
1
)
n
=
residue_weights
.
shape
[
-
1
]
pair_mask
=
residue_weights
.
new_ones
((
n
,
n
),
dtype
=
torch
.
int32
)
if
interface
and
(
asym_id
is
not
None
):
if
len
(
asym_id
.
shape
)
>
1
:
assert
len
(
asym_id
.
shape
)
<=
2
pair_mask
=
residue_weights
.
new_ones
((
1
,
n
,
n
),
dtype
=
torch
.
int32
)
if
interface
:
pair_mask
*=
(
asym_id
[...,
None
]
!=
asym_id
[...,
None
,
:]).
to
(
dtype
=
pair_mask
.
dtype
)
predicted_tm_term
*=
pair_mask
...
...
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