workbench 0.8.161__tar.gz → 0.8.163__tar.gz

{workbench-0.8.161 → workbench-0.8.163}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: workbench
-Version: 0.8.161
+Version: 0.8.163
 Summary: Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines
 Author-email: SuperCowPowers LLC <support@supercowpowers.com>
 License-Expression: MIT
@@ -22,7 +22,7 @@ Requires-Dist: pandas>=2.2.1
 Requires-Dist: awswrangler>=3.4.0
 Requires-Dist: sagemaker>=2.143
 Requires-Dist: cryptography>=44.0.2
-Requires-Dist: ipython>=9.0.0
+Requires-Dist: ipython>=8.37.0
 Requires-Dist: pyreadline3; sys_platform == "win32"
 Requires-Dist: scikit-learn>=1.5.2
 Requires-Dist: xgboost>=3.0.3
@@ -168,7 +168,6 @@ Using Workbench will minimize the time and manpower needed to incorporate AWS ML
 
 ```
 pip install workbench             # Installs Workbench with Core Dependencies
-pip install 'workbench[ml-tools]' # + Shap and NetworkX
 pip install 'workbench[ui]'       # + Plotly/Dash
 pip install 'workbench[dev]'      # + Pytest/flake8/black
 pip install 'workbench[all]'      # + All the things :)

{workbench-0.8.161 → workbench-0.8.163}/README.md

@@ -104,7 +104,6 @@ Using Workbench will minimize the time and manpower needed to incorporate AWS ML
 
 ```
 pip install workbench             # Installs Workbench with Core Dependencies
-pip install 'workbench[ml-tools]' # + Shap and NetworkX
 pip install 'workbench[ui]'       # + Plotly/Dash
 pip install 'workbench[dev]'      # + Pytest/flake8/black
 pip install 'workbench[all]'      # + All the things :)

{workbench-0.8.161 → workbench-0.8.163}/examples/models/pytorch.py

@@ -7,7 +7,7 @@ feature_list = model.features()
 target = model.target()
 
 # Recreate Flag in case you want to recreate the artifacts
-recreate = False
+recreate = True
 
 # PyTorch Regression Model
 if recreate or not Model("aqsol-pytorch-reg").exists():
@@ -20,7 +20,7 @@ if recreate or not Model("aqsol-pytorch-reg").exists():
         target_column=target,
         description="PyTorch Regression Model for AQSol",
         tags=["pytorch", "molecular descriptors"],
-        hyperparameters={"layers": "256-512-512", "max_epochs": 150},
+        hyperparameters={"training_config": {"max_epochs": 150}, "model_config": {"layers": "128-64-32"}},
     )
     m.set_owner("BW")
 
@@ -44,7 +44,7 @@ if recreate or not Model("aqsol-pytorch-class").exists():
         target_column="solubility_class",
         description="PyTorch Classification Model for AQSol",
         tags=["pytorch", "molecular descriptors"],
-        hyperparameters={"layers": "1024-512", "max_epochs": 50},
+        hyperparameters={"training_config": {"max_epochs": 150}, "model_config": {"layers": "256-128-64"}},
     )
     m.set_owner("BW")
     m.set_class_labels(["low", "medium", "high"])

{workbench-0.8.161 → workbench-0.8.163}/pyproject.toml

@@ -32,7 +32,7 @@ dependencies = [
     "awswrangler >= 3.4.0",
     "sagemaker >= 2.143",
     "cryptography >= 44.0.2",
-    "ipython >=9.0.0",
+    "ipython >=8.37.0",
     "pyreadline3; sys_platform == 'win32'",
     "scikit-learn >=1.5.2",
     "xgboost >=3.0.3",

{workbench-0.8.161 → workbench-0.8.163}/src/workbench/model_scripts/pytorch_model/generated_model_script.py

@@ -35,13 +35,13 @@ from typing import List, Tuple
 
 # Template Parameters
 TEMPLATE_PARAMS = {
-    "model_type": "regressor",
-    "target_column": "solubility",
+    "model_type": "classifier",
+    "target_column": "solubility_class",
     "features": ['molwt', 'mollogp', 'molmr', 'heavyatomcount', 'numhacceptors', 'numhdonors', 'numheteroatoms', 'numrotatablebonds', 'numvalenceelectrons', 'numaromaticrings', 'numsaturatedrings', 'numaliphaticrings', 'ringcount', 'tpsa', 'labuteasa', 'balabanj', 'bertzct'],
     "compressed_features": [],
-    "model_metrics_s3_path": "s3://sandbox-sageworks-artifacts/models/aqsol-pytorch-reg/training",
+    "model_metrics_s3_path": "s3://sandbox-sageworks-artifacts/models/aqsol-pytorch-class/training",
     "train_all_data": False,
-    "hyperparameters": {'layers': '2048-512-512', 'max_epochs': 150}
+    "hyperparameters": {'training_config': {'max_epochs': 150}, 'model_config': {'layers': '256-128-64'}}
 }
 
 
@@ -432,9 +432,13 @@ if __name__ == "__main__":
         "gradient_clip_val": 1.0,
     }
 
-    # Override defaults with any provided hyperparameters for trainer
-    trainer_params = {**trainer_defaults, **{k: v for k, v in hyperparameters.items()
-                                             if k in trainer_defaults}}
+    # Override defaults with training_config if present
+    training_overrides = {k: v for k, v in hyperparameters.get('training_config', {}).items()
+                          if k in trainer_defaults}
+    # Print overwrites
+    for key, value in training_overrides.items():
+        print(f"TRAINING CONFIG Override: {key}: {trainer_defaults[key]} → {value}")
+    trainer_params = {**trainer_defaults, **training_overrides}
     trainer_config = TrainerConfig(**trainer_params)
 
     # Model config defaults
@@ -446,10 +450,17 @@ if __name__ == "__main__":
         "use_batch_norm": True,
         "initialization": "kaiming",
     }
-    # Override defaults with any provided hyperparameters for model
-    model_params = {**model_defaults, **{k: v for k, v in hyperparameters.items()
-                                         if k in model_defaults}}
-    # Use CategoryEmbedding for both regression and classification tasks
+    # Override defaults with model_config if present
+    model_overrides = {k: v for k, v in hyperparameters.get('model_config', {}).items()
+                          if k in model_defaults}
+    # Print overwrites
+    for key, value in model_overrides.items():
+        print(f"MODEL CONFIG Override: {key}: {model_defaults[key]} → {value}")
+    model_params = {**model_defaults, **model_overrides}
+
+    # Use CategoryEmbedding model configuration for general-purpose tabular modeling.
+    # Works effectively for both regression and classification as the foundational
+    # architecture in PyTorch Tabular
     model_config = CategoryEmbeddingModelConfig(
         task=task,
         **model_params

{workbench-0.8.161 → workbench-0.8.163}/src/workbench/model_scripts/pytorch_model/pytorch.template

@@ -432,9 +432,13 @@ if __name__ == "__main__":
         "gradient_clip_val": 1.0,
     }
 
-    # Override defaults with any provided hyperparameters for trainer
-    trainer_params = {**trainer_defaults, **{k: v for k, v in hyperparameters.items()
-                                             if k in trainer_defaults}}
+    # Override defaults with training_config if present
+    training_overrides = {k: v for k, v in hyperparameters.get('training_config', {}).items()
+                          if k in trainer_defaults}
+    # Print overwrites
+    for key, value in training_overrides.items():
+        print(f"TRAINING CONFIG Override: {key}: {trainer_defaults[key]} → {value}")
+    trainer_params = {**trainer_defaults, **training_overrides}
     trainer_config = TrainerConfig(**trainer_params)
 
     # Model config defaults
@@ -446,9 +450,13 @@ if __name__ == "__main__":
         "use_batch_norm": True,
         "initialization": "kaiming",
     }
-    # Override defaults with any provided hyperparameters for model
-    model_params = {**model_defaults, **{k: v for k, v in hyperparameters.items()
-                                         if k in model_defaults}}
+    # Override defaults with model_config if present
+    model_overrides = {k: v for k, v in hyperparameters.get('model_config', {}).items()
+                          if k in model_defaults}
+    # Print overwrites
+    for key, value in model_overrides.items():
+        print(f"MODEL CONFIG Override: {key}: {model_defaults[key]} → {value}")
+    model_params = {**model_defaults, **model_overrides}
 
     # Use CategoryEmbedding model configuration for general-purpose tabular modeling.
     # Works effectively for both regression and classification as the foundational

{workbench-0.8.161 → workbench-0.8.163}/src/workbench/repl/workbench_shell.py

@@ -1,4 +1,6 @@
+import IPython
 from IPython import start_ipython
+from distutils.version import LooseVersion
 from IPython.terminal.prompts import Prompts
 from IPython.terminal.ipapp import load_default_config
 from pygments.token import Token
@@ -202,7 +204,10 @@ class WorkbenchShell:
 
         # Start IPython with the config and commands in the namespace
         try:
-            ipython_argv = ["--no-tip", "--theme", "linux"]
+            if LooseVersion(IPython.__version__) >= LooseVersion("9.0.0"):
+                ipython_argv = ["--no-tip", "--theme", "linux"]
+            else:
+                ipython_argv = []
             start_ipython(ipython_argv, user_ns=locs, config=config)
         finally:
             spinner = self.spinner_start("Goodbye to AWS:")

{workbench-0.8.161 → workbench-0.8.163}/src/workbench.egg-info/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: workbench
-Version: 0.8.161
+Version: 0.8.163
 Summary: Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines
 Author-email: SuperCowPowers LLC <support@supercowpowers.com>
 License-Expression: MIT
@@ -22,7 +22,7 @@ Requires-Dist: pandas>=2.2.1
 Requires-Dist: awswrangler>=3.4.0
 Requires-Dist: sagemaker>=2.143
 Requires-Dist: cryptography>=44.0.2
-Requires-Dist: ipython>=9.0.0
+Requires-Dist: ipython>=8.37.0
 Requires-Dist: pyreadline3; sys_platform == "win32"
 Requires-Dist: scikit-learn>=1.5.2
 Requires-Dist: xgboost>=3.0.3
@@ -168,7 +168,6 @@ Using Workbench will minimize the time and manpower needed to incorporate AWS ML
 
 ```
 pip install workbench             # Installs Workbench with Core Dependencies
-pip install 'workbench[ml-tools]' # + Shap and NetworkX
 pip install 'workbench[ui]'       # + Plotly/Dash
 pip install 'workbench[dev]'      # + Pytest/flake8/black
 pip install 'workbench[all]'      # + All the things :)

{workbench-0.8.161 → workbench-0.8.163}/src/workbench.egg-info/requires.txt

@@ -6,7 +6,7 @@ pandas>=2.2.1
 awswrangler>=3.4.0
 sagemaker>=2.143
 cryptography>=44.0.2
-ipython>=9.0.0
+ipython>=8.37.0
 scikit-learn>=1.5.2
 xgboost>=3.0.3
 joblib>=1.3.2