mat3ra-esse 2025.8.9.post0__py3-none-any.whl → 2025.8.20.post0__py3-none-any.whl
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- mat3ra/esse/data/examples.py +1 -1
- mat3ra/esse/data/schemas.py +1 -1
- mat3ra/esse/models/core/reference/__init__.py +5 -5
- mat3ra/esse/models/core/reference/experiment/__init__.py +2 -2
- mat3ra/esse/models/job/__init__.py +21 -21
- mat3ra/esse/models/material/__init__.py +8 -8
- mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/interstitial.py +17 -17
- mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/substitutional.py +17 -17
- mat3ra/esse/models/materials_category/defective_structures/zero_dimensional/point_defect/vacancy.py +8 -8
- mat3ra/esse/models/materials_category/pristine_structures/three_dimensional/ideal_crystal.py +8 -8
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanoribbon.py +26 -26
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/nanotape.py +17 -17
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab.py +17 -17
- mat3ra/esse/models/materials_category/pristine_structures/two_dimensional/slab_strained_supercell.py +17 -17
- mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/point_defect_site.py +8 -8
- mat3ra/esse/models/materials_category_components/entities/auxiliary/zero_dimensional/void_region.py +8 -8
- mat3ra/esse/models/materials_category_components/entities/core/two_dimensional/vacuum.py +8 -8
- mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_non_uniform.py +8 -8
- mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/strained_uniform.py +8 -8
- mat3ra/esse/models/materials_category_components/entities/reusable/three_dimensional/supercell.py +8 -8
- mat3ra/esse/models/materials_category_components/entities/reusable/two_dimensional/slab_stack_configuration.py +26 -26
- mat3ra/esse/models/materials_category_components/operations/core/modifications/perturb.py +8 -8
- mat3ra/esse/models/properties_directory/non_scalar/total_energy_contributions.py +26 -26
- mat3ra/esse/models/properties_directory/structural/molecular_pattern.py +4 -4
- mat3ra/esse/models/property/meta.py +2 -2
- mat3ra/esse/models/property/raw.py +2 -2
- mat3ra/esse/models/property/source.py +2 -2
- mat3ra/esse/models/software/template.py +2 -1
- mat3ra/esse/models/software_directory/modeling/unit/execution.py +1 -1
- mat3ra/esse/models/software_directory/scripting/unit/execution.py +1 -1
- mat3ra/esse/models/workflow/__init__.py +19 -19
- mat3ra/esse/models/workflow/subworkflow/__init__.py +6 -6
- mat3ra/esse/models/workflow/subworkflow/unit.py +6 -6
- mat3ra/esse/models/workflow/unit/__init__.py +8 -8
- mat3ra/esse/models/workflow/unit/input/_input.py +1 -1
- mat3ra/esse/models/workflow/unit/input/_inputItem.py +3 -1
- {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/METADATA +1 -1
- {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/RECORD +41 -56
- mat3ra/esse/models/software_directory/ml/__init__.py +0 -3
- mat3ra/esse/models/software_directory/ml/exabyteml.py +0 -28
- mat3ra/esse/models/software_directory/ml/unit/__init__.py +0 -3
- mat3ra/esse/models/software_directory/ml/unit/execution/__init__.py +0 -879
- mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/__init__.py +0 -3
- mat3ra/esse/models/software_directory/ml/unit/execution/evaluate/cross_validate.py +0 -293
- mat3ra/esse/models/software_directory/ml/unit/execution/initialize.py +0 -293
- mat3ra/esse/models/software_directory/ml/unit/execution/score.py +0 -286
- mat3ra/esse/models/software_directory/ml/unit/execution/train.py +0 -297
- mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py +0 -276
- mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py +0 -167
- mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py +0 -144
- mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py +0 -163
- mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py +0 -148
- mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py +0 -144
- {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/WHEEL +0 -0
- {mat3ra_esse-2025.8.9.post0.dist-info → mat3ra_esse-2025.8.20.post0.dist-info}/licenses/LICENSE.md +0 -0
- {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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@@ -222,7 +222,7 @@ class DataIOUnitSchema(BaseModel):
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execution = "execution"
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The name of the executable. e.g. pw.x
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type of the unit
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mat3ra/esse/models/workflow/unit/runtime/runtime_item.py,sha256=PujG7jcL8RDok9RSJiEKEB85-uGLoimVnK2k7gqyf2I,471
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mat3ra/esse/models/workflow/unit/runtime/runtime_items.py,sha256=Yi53LFKBWqx8oGA1Po38ulfSy-QaBP38VwWk45Q7ZJQ,943
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570
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mat3ra_esse-2025.8.
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mat3ra_esse-2025.8.20.post0.dist-info/licenses/LICENSE.md,sha256=CBGo1CDw-8EWCk7x9HOiF-OShdnHY6j__TjFyZPpQME,563
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mat3ra_esse-2025.8.20.post0.dist-info/METADATA,sha256=TXxo8AC_TN5UbKKEYgnzisBoqoCtqWvToUefKj2qHl4,9013
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mat3ra_esse-2025.8.20.post0.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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mat3ra_esse-2025.8.20.post0.dist-info/top_level.txt,sha256=GizAtvIqqIcCWShlThl_mgig_bZs_LFyqVah6wrGHIs,7
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mat3ra_esse-2025.8.20.post0.dist-info/RECORD,,
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# generated by datamodel-codegen:
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class ExabyteMachineLearningEngineSchema(BaseModel):
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summary: Optional[Summary] = None
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version: Optional[Version] = None
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