mat3ra-esse 2025.1.27.post0__py3-none-any.whl → 2025.4.11.post0__py3-none-any.whl

mat3ra/esse/models/software_directory/ml/unit/execution/train.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/execution/train.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/ml/unit/processing/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/processing.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -42,7 +42,7 @@ class PerFeatureItem(BaseModel):
 
 
 class InputData(BaseModel):
-    scaler: Scaler
+    scaler: Optional[Scaler] = "standard_scaler"
     """
     type of scaler to be applied
     """

mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/processing/data_transformation.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -42,7 +42,7 @@ class PerFeatureItem(BaseModel):
 
 
 class InputData(BaseModel):
-    scaler: Scaler
+    scaler: Optional[Scaler] = "standard_scaler"
     """
     type of scaler to be applied
     """

mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/manipulation.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/processing/data_transformation/manipulation.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -19,15 +19,15 @@ class OperationType(Enum):
 
 
 class InputData(BaseModel):
-    cleanMissingData: bool
+    cleanMissingData: Optional[bool] = True
     """
     whether to clean missing data, eg. NaN
     """
-    removeDuplicateRows: bool
+    removeDuplicateRows: Optional[bool] = True
     """
     whether to remove duplicate rows
     """
-    replaceNoneValuesWith: float
+    replaceNoneValuesWith: Optional[float] = 0
     """
     replace None values with a given value
     """

mat3ra/esse/models/software_directory/ml/unit/processing/data_transformation/scale_and_reduce.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/processing/data_transformation/scale_and_reduce.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
@@ -42,7 +42,7 @@ class PerFeatureItem(BaseModel):
 
 
 class InputData(BaseModel):
-    scaler: Scaler
+    scaler: Optional[Scaler] = "standard_scaler"
     """
     type of scaler to be applied
     """

mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/processing/feature_selection.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/ml/unit/processing/feature_selection/filter_based.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/ml/unit/processing/feature_selection/filter_based.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/modeling/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/software_directory/modeling/deepmd.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/modeling/deepmd.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/modeling/espresso/__init__.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/modeling/espresso.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/modeling/espresso/arguments.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/modeling/espresso/arguments.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/modeling/nwchem.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/modeling/nwchem.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/modeling/unit/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/software_directory/modeling/unit/execution.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/modeling/unit/execution.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/modeling/vasp.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/modeling/vasp.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/scripting/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/software_directory/scripting/jupyter_lab.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/scripting/jupyter_lab.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/scripting/python.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/scripting/python.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/scripting/shell.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/scripting/shell.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/software_directory/scripting/unit/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/software_directory/scripting/unit/execution.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  software_directory/scripting/unit/execution.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/system/_material.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/_material.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/_parent_job.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/_parent_job.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/_project.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/_project.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/bankable.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/bankable.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/consistency_check.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/consistency_check.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/creator.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/creator.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/creator_account.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/creator_account.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/database_source.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/database_source.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/defaultable.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/defaultable.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/description.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/description.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/entity_reference.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/entity_reference.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/file_source.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/file_source.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/has_consistency_check.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/has_consistency_check.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/history.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/history.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/iframe_message.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/iframe_message.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/in_set.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/in_set.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/is_multi_material.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/is_multi_material.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/is_outdated.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/is_outdated.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/job_extended.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/job_extended.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/message.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/message.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/metadata.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/metadata.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/name.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/name.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/owner.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/owner.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/path.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/path.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/path_entity.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/path_entity.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/schema_version.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/schema_version.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/scope.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/scope.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/set.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/set.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/sharing.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/sharing.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/soft_removable.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/soft_removable.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/status.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/status.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/tags.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/tags.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/system/timestampable.py

@@ -1,20 +1,21 @@
 # generated by datamodel-codegen:
 #   filename:  system/timestampable.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
+from datetime import datetime
 from typing import Optional
 
-from pydantic import AwareDatetime, BaseModel
+from pydantic import BaseModel
 
 
 class TimestampableEntitySchema(BaseModel):
-    createdAt: Optional[AwareDatetime] = None
+    createdAt: Optional[datetime] = None
     """
     entity creation time
     """
-    updatedAt: Optional[AwareDatetime] = None
+    updatedAt: Optional[datetime] = None
     """
     entity last modification time
     """

mat3ra/esse/models/system/use_values.py

@@ -1,6 +1,6 @@
 # generated by datamodel-codegen:
 #   filename:  system/use_values.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 

mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5

mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/atoms.py

@@ -1,16 +1,16 @@
 # generated by datamodel-codegen:
 #   filename:  3pse/db/nist_jarvis/2024.3.13/atoms.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from typing import Any, List, Optional
+from typing import List, Optional
 
 from pydantic import BaseModel, ConfigDict, Field, RootModel
 
 
-class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
-    root: List[Any] = Field(..., title="array of 3 number elements schema")
+class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
+    root: List[float] = Field(..., title="array of 3 number elements schema")
 
 
 class NISTJARVISAtomsSchema(BaseModel):

mat3ra/esse/models/third_party/db/nist_jarvis/{2024.3.13 → 2024_3.13}/db_entry.py

@@ -1,16 +1,16 @@
 # generated by datamodel-codegen:
 #   filename:  3pse/db/nist_jarvis/2024.3.13/db_entry.json
-#   version:   0.25.5
+#   version:   0.28.5
 
 from __future__ import annotations
 
-from typing import Any, List, Optional
+from typing import List, Optional
 
 from pydantic import BaseModel, ConfigDict, Field, RootModel
 
 
-class ArrayOf3NumberElementsSchema(RootModel[List[Any]]):
-    root: List[Any] = Field(..., title="array of 3 number elements schema")
+class ArrayOf3NumberElementsSchema(RootModel[List[float]]):
+    root: List[float] = Field(..., title="array of 3 number elements schema")
 
 
 class NISTJARVISAtomsSchema(BaseModel):

mat3ra/esse/models/third_party/file/applications/espresso/7.2/__init__.py

@@ -1,3 +1,3 @@
 # generated by datamodel-codegen:
 #   filename:  schema
-#   version:   0.25.5
+#   version:   0.28.5