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OpenDAS
OpenFold
Commits
72a971b0
Commit
72a971b0
authored
Mar 20, 2022
by
Gustaf Ahdritz
Browse files
Add DRMSD edge case
parent
fbbb0479
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openfold/utils/loss.py
openfold/utils/loss.py
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openfold/utils/loss.py
View file @
72a971b0
...
...
@@ -1531,7 +1531,7 @@ def compute_drmsd(structure_1, structure_2, mask=None):
drmsd
=
drmsd
**
2
drmsd
=
torch
.
sum
(
drmsd
,
dim
=
(
-
1
,
-
2
))
n
=
d1
.
shape
[
-
1
]
if
mask
is
None
else
torch
.
sum
(
mask
,
dim
=-
1
)
drmsd
=
drmsd
*
(
1
/
(
n
*
(
n
-
1
)))
drmsd
=
drmsd
*
(
1
/
(
n
*
(
n
-
1
)))
if
n
>
1
else
0.
drmsd
=
torch
.
sqrt
(
drmsd
)
return
drmsd
...
...
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