workbench 0.8.161__py3-none-any.whl → 0.8.163__py3-none-any.whl

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/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/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.dist-info → workbench-0.8.163.dist-info}/METADATA

@@ -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.dist-info → workbench-0.8.163.dist-info}/RECORD

@@ -150,8 +150,8 @@ workbench/model_scripts/custom_script_example/requirements.txt,sha256=jWlGc7HH7v
 workbench/model_scripts/ensemble_xgb/ensemble_xgb.template,sha256=s8tPPk_q6UqA2nAzknD8viA-kN7f62Rim2XwMKcqHKc,10399
 workbench/model_scripts/ensemble_xgb/generated_model_script.py,sha256=dsjUGm22xI1ThGn97HPKtooyEPK-HOQnf5chnZ7-MXk,10675
 workbench/model_scripts/ensemble_xgb/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
-workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=teYeANf-fcStAV2Dp3OUHCzfyCcIwhX0CbEjEnpQHzE,21793
-workbench/model_scripts/pytorch_model/pytorch.template,sha256=yRAHG9QBZec2qdzMCbFKhiQP8olWEFETonEwX4Sx6vA,21672
+workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=Mr1IMQJE_ML899qjzhjkrP521IjvcAvqU0pk--FB7KY,22356
+workbench/model_scripts/pytorch_model/pytorch.template,sha256=3jM3RUH68r75eH9Wayz6YTXZ7qpuDnaJCKKcHD_oKqA,22054
 workbench/model_scripts/pytorch_model/requirements.txt,sha256=ICS5nW0wix44EJO2tJszJSaUrSvhSfdedn6FcRInGx4,181
 workbench/model_scripts/quant_regression/quant_regression.template,sha256=AQihffV68qI6CG9qztA0jGunDWoijb3eeDWNG5tiIGc,9818
 workbench/model_scripts/quant_regression/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
@@ -162,7 +162,7 @@ workbench/model_scripts/xgb_model/generated_model_script.py,sha256=dm11XC6SHo_-z
 workbench/model_scripts/xgb_model/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
 workbench/model_scripts/xgb_model/xgb_model.template,sha256=RaUr8X6al5R2IILNKgGUH05Gb4H7AFFG9RE524_VH7Q,17935
 workbench/repl/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
-workbench/repl/workbench_shell.py,sha256=16VhncrMs4lkSGVAHhjzKvK21DCt9aU6mNScYrZVgKM,21948
+workbench/repl/workbench_shell.py,sha256=ms9nVFfKohK8efmiQ2YbOH1OYBRWLgqbByshkcoKDog,22137
 workbench/resources/open_source_api.key,sha256=3S0OTblsmC0msUPdE_dbBmI83xJNmYscuwLJ57JmuOc,433
 workbench/resources/signature_verify_pub.pem,sha256=V3-u-3_z2PH-805ybkKvzDOBwAbvHxcKn0jLBImEtzM,272
 workbench/scripts/check_double_bond_stereo.py,sha256=p5hnL54Weq77ES0HCELq9JeoM-PyUGkvVSeWYF2dKyo,7776
@@ -275,9 +275,9 @@ workbench/web_interface/page_views/main_page.py,sha256=X4-KyGTKLAdxR-Zk2niuLJB2Y
 workbench/web_interface/page_views/models_page_view.py,sha256=M0bdC7bAzLyIaE2jviY12FF4abdMFZmg6sFuOY_LaGI,2650
 workbench/web_interface/page_views/page_view.py,sha256=Gh6YnpOGlUejx-bHZAf5pzqoQ1H1R0OSwOpGhOBO06w,455
 workbench/web_interface/page_views/pipelines_page_view.py,sha256=v2pxrIbsHBcYiblfius3JK766NZ7ciD2yPx0t3E5IJo,2656
-workbench-0.8.161.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
-workbench-0.8.161.dist-info/METADATA,sha256=ruPwlW-aucB_XxYedp4FMNjzlaAHkFzZw_PyV8ulWBo,9264
-workbench-0.8.161.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-workbench-0.8.161.dist-info/entry_points.txt,sha256=oZykkheWiiIBjRE8cS5SdcxwmZKSFaQEGwMBjNh-eNM,238
-workbench-0.8.161.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
-workbench-0.8.161.dist-info/RECORD,,
+workbench-0.8.163.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
+workbench-0.8.163.dist-info/METADATA,sha256=TwnUicLddrHeMkx_gDGiUR6uQD7TR6mRjNG0XY3kh1E,9209
+workbench-0.8.163.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+workbench-0.8.163.dist-info/entry_points.txt,sha256=oZykkheWiiIBjRE8cS5SdcxwmZKSFaQEGwMBjNh-eNM,238
+workbench-0.8.163.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
+workbench-0.8.163.dist-info/RECORD,,