rc-foundry 0.1.9__py3-none-any.whl → 0.1.11__py3-none-any.whl

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Files changed (33) hide show
  1. foundry/trainers/fabric.py +18 -2
  2. foundry/utils/components.py +3 -3
  3. foundry/utils/ddp.py +15 -12
  4. foundry/utils/xpu/__init__.py +27 -0
  5. foundry/utils/xpu/single_xpu_strategy.py +47 -0
  6. foundry/utils/xpu/xpu_accelerator.py +91 -0
  7. foundry/utils/xpu/xpu_precision.py +72 -0
  8. foundry/version.py +2 -2
  9. mpnn/inference_engines/mpnn.py +6 -2
  10. {rc_foundry-0.1.9.dist-info → rc_foundry-0.1.11.dist-info}/METADATA +11 -1
  11. {rc_foundry-0.1.9.dist-info → rc_foundry-0.1.11.dist-info}/RECORD +33 -27
  12. rf3/configs/inference.yaml +5 -0
  13. rf3/configs/train.yaml +5 -0
  14. rf3/configs/trainer/xpu.yaml +6 -0
  15. rf3/configs/validate.yaml +5 -0
  16. rf3/inference.py +4 -1
  17. rfd3/configs/dev.yaml +1 -0
  18. rfd3/configs/inference.yaml +1 -0
  19. rfd3/configs/train.yaml +2 -1
  20. rfd3/configs/trainer/xpu.yaml +6 -0
  21. rfd3/configs/validate.yaml +1 -0
  22. rfd3/engine.py +14 -7
  23. rfd3/inference/input_parsing.py +4 -2
  24. rfd3/inference/symmetry/atom_array.py +9 -78
  25. rfd3/inference/symmetry/frames.py +0 -248
  26. rfd3/inference/symmetry/symmetry_utils.py +2 -3
  27. rfd3/model/inference_sampler.py +3 -1
  28. rfd3/transforms/hbonds_hbplus.py +52 -49
  29. rfd3/transforms/symmetry.py +7 -16
  30. rfd3/utils/inference.py +7 -6
  31. {rc_foundry-0.1.9.dist-info → rc_foundry-0.1.11.dist-info}/WHEEL +0 -0
  32. {rc_foundry-0.1.9.dist-info → rc_foundry-0.1.11.dist-info}/entry_points.txt +0 -0
  33. {rc_foundry-0.1.9.dist-info → rc_foundry-0.1.11.dist-info}/licenses/LICENSE.md +0 -0
rfd3/utils/inference.py CHANGED
@@ -373,12 +373,13 @@ def ensure_inference_sampler_matches_design_spec(
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  design_spec: Design specification dictionary
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  inference_sampler: Inference sampler dictionary
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  """
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- has_symmetry_specification = [
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- True
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- if "symmetry" in item.keys() and item.get("symmetry") is not None
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- else False
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- for item in design_spec.values()
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- ]
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+ has_symmetry_specification = []
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+ for item in design_spec.values():
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+ if hasattr(item, "symmetry"):
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+ has_symmetry = item.symmetry is not None
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+ else:
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+ has_symmetry = "symmetry" in item and item.get("symmetry") is not None
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+ has_symmetry_specification.append(has_symmetry)
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  if any(has_symmetry_specification):
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  if (
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  inference_sampler is None