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Commit 016bfd45 authored by Nikita Smetanin's avatar Nikita Smetanin
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Minor updates & optimizations to support ESMFold

parent 4ac9a223
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openfold/model/structure_module.py
View file @ 016bfd45
......@@ -752,6 +752,7 @@ class StructureModule(nn.Module):
device=device,
requires_grad=False,
),
persistent=False,
)
if not hasattr(self, "group_idx"):
self.register_buffer(
......@@ -761,6 +762,7 @@ class StructureModule(nn.Module):
device=device,
requires_grad=False,
),
persistent=False,
)
if not hasattr(self, "atom_mask"):
self.register_buffer(
......@@ -771,6 +773,7 @@ class StructureModule(nn.Module):
device=device,
requires_grad=False,
),
persistent=False,
)
if not hasattr(self, "lit_positions"):
self.register_buffer(
......@@ -781,6 +784,7 @@ class StructureModule(nn.Module):
device=device,
requires_grad=False,
),
persistent=False,
)
def torsion_angles_to_frames(self, r, alpha, f):
......
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