mat3ra-esse 2025.8.9.post0__py3-none-any.whl → 2025.8.20.post0__py3-none-any.whl

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Files changed (56) hide show
  1. mat3ra/esse/data/examples.py +1 -1
  2. mat3ra/esse/data/schemas.py +1 -1
  3. mat3ra/esse/models/core/reference/__init__.py +5 -5
  4. mat3ra/esse/models/core/reference/experiment/__init__.py +2 -2
  5. mat3ra/esse/models/job/__init__.py +21 -21
  6. mat3ra/esse/models/material/__init__.py +8 -8
  7. mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py +17 -17
  8. mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py +17 -17
  9. mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py +8 -8
  10. mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py +8 -8
  11. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py +26 -26
  12. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py +17 -17
  13. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py +17 -17
  14. mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py +17 -17
  15. mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py +8 -8
  16. mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py +8 -8
  17. mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py +8 -8
  18. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.py +8 -8
  19. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_uniform.py +8 -8
  20. mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/supercell.py +8 -8
  21. mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py +26 -26
  22. mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py +8 -8
  23. mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +26 -26
  24. mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +4 -4
  25. mat3ra/esse/models/property/meta.py +2 -2
  26. mat3ra/esse/models/property/raw.py +2 -2
  27. mat3ra/esse/models/property/source.py +2 -2
  28. mat3ra/esse/models/software/template.py +2 -1
  29. mat3ra/esse/models/software_directory/modeling/unit/execution.py +1 -1
  30. mat3ra/esse/models/software_directory/scripting/unit/execution.py +1 -1
  31. mat3ra/esse/models/workflow/__init__.py +19 -19
  32. mat3ra/esse/models/workflow/subworkflow/__init__.py +6 -6
  33. mat3ra/esse/models/workflow/subworkflow/unit.py +6 -6
  34. mat3ra/esse/models/workflow/unit/__init__.py +8 -8
  35. mat3ra/esse/models/workflow/unit/input/_input.py +1 -1
  36. mat3ra/esse/models/workflow/unit/input/_inputItem.py +3 -1
  37. {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/METADATA +1 -1
  38. {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/RECORD +41 -56
  39. mat3ra/esse/models/software_directory/ml/__init__.py +0 -3
  40. mat3ra/esse/models/software_directory/ml/exabyteml.py +0 -28
  41. mat3ra/esse/models/software_directory/ml/unit/__init__.py +0 -3
  42. mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +0 -879
  43. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py +0 -3
  44. mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +0 -293
  45. mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +0 -293
  46. mat3ra/esse/models/software_directory/ml/unit/execution/score.py +0 -286
  47. mat3ra/esse/models/software_directory/ml/unit/execution/train.py +0 -297
  48. mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +0 -276
  49. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +0 -167
  50. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +0 -144
  51. mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +0 -163
  52. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +0 -148
  53. mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +0 -144
  54. {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/WHEEL +0 -0
  55. {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/licenses/LICENSE.md +0 -0
  56. {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/top_level.txt +0 -0

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