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cleanup debug comment
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@@ -349,13 +349,9 @@ class SubunitSymmetryResolution(nn.Module):
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x_native = symm_input["coord_atom_lvl"].to(x_pred.device)
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mask_native = symm_input["mask_atom_lvl"].to(x_pred.device)
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try:
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x_native_aln, x_native_mask = self._resolve_subunits(
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mol_entities, mol_iid, crop_mask, x_native, mask_native, x_pred
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)
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except Exception:
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# fd ... TO DO: DEBUG!
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return loss_input
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x_native_aln, x_native_mask = self._resolve_subunits(
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mol_entities, mol_iid, crop_mask, x_native, mask_native, x_pred
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)
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loss_input["X_gt_L"] = x_native_aln
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loss_input["crd_mask_L"] = x_native_mask
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