Merge branch 'RosettaCommons:production' into production

Author: TimS-ml

models/rfd3/src/rfd3/engine.py

@@ -391,6 +391,8 @@ def _multiply_specifications(
         design_specifications = {}
         for prefix, example_spec in inputs.items():
             # Record task name in the specification
+            if "extra" not in example_spec:
+                example_spec["extra"] = {}
             example_spec["extra"]["task_name"] = prefix
 
             # ... Create n_batches for example

models/rfd3/src/rfd3/model/inference_sampler.py

@@ -12,6 +12,7 @@
     rot_vec_mul,
     uniform_random_rotation,
 )
+from rfd3.inference.symmetry.symmetry_utils import apply_symmetry_to_xyz_atomwise
 
 ranked_logger = RankedLogger(__name__, rank_zero_only=True)