workbench 0.8.185__py3-none-any.whl → 0.8.186__py3-none-any.whl

workbench/core/artifacts/endpoint_core.py

@@ -993,9 +993,9 @@ class EndpointCore(Artifact):
         self.upsert_workbench_meta({"workbench_input": input})
 
     def delete(self):
-        """ "Delete an existing Endpoint: Underlying Models, Configuration, and Endpoint"""
+        """Delete an existing Endpoint: Underlying Models, Configuration, and Endpoint"""
         if not self.exists():
-            self.log.warning(f"Trying to delete an Model that doesn't exist: {self.name}")
+            self.log.warning(f"Trying to delete an Endpoint that doesn't exist: {self.name}")
 
         # Remove this endpoint from the list of registered endpoints
         self.log.info(f"Removing {self.name} from the list of registered endpoints...")

workbench/core/artifacts/model_core.py

@@ -899,7 +899,7 @@ class ModelCore(Artifact):
     def delete(self):
         """Delete the Model Packages and the Model Group"""
         if not self.exists():
-            self.log.warning(f"Trying to delete an Model that doesn't exist: {self.name}")
+            self.log.warning(f"Trying to delete a Model that doesn't exist: {self.name}")
 
         # Call the Class Method to delete the Model Group
         ModelCore.managed_delete(model_group_name=self.name)

workbench/model_scripts/uq_models/generated_model_script.py

@@ -19,7 +19,7 @@ from typing import List, Tuple
 # Template Placeholders
 TEMPLATE_PARAMS = {
     "target": "udm_asy_res_free_percent",
-    "features": ['naromatom', 'minabspartialcharge', 'bcut2d_mrhi', 'smr_vsa10', 'vsa_estate2', 'minpartialcharge', 'xpc_5d', 'sps', 'xc_3dv', 'smr_vsa7', 'bcut2d_logplow', 'mollogp', 'vsa_estate1', 'num_s_centers', 'vsa_estate4', 'peoe_vsa13', 'fr_nh2', 'bertzct', 'estate_vsa4', 'vsa_estate9', 'smr_vsa3', 'fr_nh1', 'molwt', 'estate_vsa5', 'slogp_vsa5', 'maxpartialcharge', 'estate_vsa1', 'fr_hoccn', 'xc_5d', 'nbase', 'chi1v', 'peoe_vsa10', 'tpsa', 'vsa_estate3', 'chi2v', 'estate_vsa8', 'numheteroatoms', 'estate_vsa2', 'peoe_vsa1', 'labuteasa', 'axp_4d', 'xch_7dv', 'chi0n', 'num_r_centers', 'vsa_estate8', 'minabsestateindex', 'bcut2d_chglo', 'bcut2d_mwhi', 'fr_nh0', 'chi4n', 'estate_vsa9', 'smr_vsa5', 'peoe_vsa2', 'peoe_vsa7', 'peoe_vsa9', 'kappa3', 'slogp_vsa3', 'fr_arn', 'estate_vsa3', 'avgipc', 'axp_5d', 'xpc_6d', 'c2sp2', 'peoe_vsa5', 'vsa_estate5', 'balabanj', 'maxabspartialcharge', 'fr_aniline', 'fr_piperdine', 'vsa_estate6', 'bcut2d_mwlow', 'numsaturatedheterocycles', 'vsa_estate10', 'smr_vsa1', 'estate_vsa6', 'smr_vsa6', 'fpdensitymorgan1', 'peoe_vsa3', 'peoe_vsa8', 'smr_vsa9', 'slogp_vsa2', 'nocount', 'fpdensitymorgan3', 'axp_6d', 'bcut2d_mrlow', 'bcut2d_logphi', 'axp_4dv', 'fpdensitymorgan2', 'mp', 'xp_5d', 'fr_nhpyrrole', 'mz', 'mv', 'vsa_estate7', 'axp_7dv', 'mi', 'c1sp2', 'xpc_6dv', 'slogp_vsa10', 'xp_7d', 'axp_3dv', 'peoe_vsa4', 'peoe_vsa6', 'axp_2dv', 'xch_5dv', 'qed', 'estate_vsa7', 'numaromaticrings', 'chi1n', 'axp_0d', 'axp_6dv', 'numrotatablebonds', 'hallkieralpha', 'c1sp3', 'xc_4dv', 'kappa2', 'bcut2d_chghi', 'xch_7d', 'axp_0dv', 'slogp_vsa7', 'axp_7d', 'minestateindex', 'axp_2d', 'axp_1d', 'chi0', 'fractioncsp3', 'slogp_vsa6', 'axp_1dv', 'chi2n', 'xp_6dv', 'maxestateindex', 'xpc_4d', 'numaliphaticheterocycles', 'chi1', 'phi', 'chi3n', 'xc_4d', 'xc_3d', 'peoe_vsa12', 'xp_6d', 'chi3v', 'axp_3d', 'axp_5dv', 'fr_benzene', 'slogp_vsa4', 'fr_pyridine', 'fr_aryl_methyl', 'xp_5dv', 'c3sp3', 'xp_7dv', 'slogp_vsa1', 'peoe_vsa11', 'mse', 'xc_5dv', 'xpc_5dv', 'xc_6dv', 'xp_0dv', 'xch_5d', 'c3sp2', 'numatomstereocenters', 'numhacceptors', 'fr_imidazole', 'numsaturatedrings', 'xpc_4dv', 'chi0v', 'numheterocycles', 'xch_6dv', 'estate_vsa10', 'chi4v', 'mare', 'numhdonors', 'xch_6d', 'xp_4d', 'fr_ar_n', 'numunspecifiedatomstereocenters', 'numspiroatoms', 'xch_4dv', 'fr_morpholine', 'fr_methoxy', 'mm', 'fr_piperzine'],
+    "features": ['naromatom', 'fr_nh2', 'mollogp', 'numheterocycles', 'bcut2d_mrhi', 'numaromaticrings', 'smr_vsa7', 'peoe_vsa4', 'slogp_vsa6', 'peoe_vsa8', 'vsa_estate3', 'maxabspartialcharge', 'fr_arn', 'bcut2d_logplow', 'chi1v', 'axp_6d', 'bcut2d_chglo', 'balabanj', 'slogp_vsa10', 'hallkieralpha', 'vsa_estate6', 'fpdensitymorgan1', 'sps', 'qed', 'peoe_vsa7', 'maxestateindex', 'estate_vsa8', 'vsa_estate9', 'fr_nhpyrrole', 'mz', 'mp', 'bcut2d_mwhi', 'peoe_vsa13', 'c2sp2', 'numrotatablebonds', 'kappa3', 'peoe_vsa1', 'slogp_vsa2', 'xc_5dv', 'bertzct', 'estate_vsa10', 'axp_0d', 'estate_vsa2', 'xc_4d', 'smr_vsa1', 'phi', 'estate_vsa3', 'vsa_estate2', 'mv', 'estate_vsa4', 'mm', 'fr_nh1', 'slogp_vsa7', 'chi4n', 'estate_vsa6', 'fpdensitymorgan2', 'molmr', 'mse', 'bcut2d_mwlow', 'bcut2d_mrlow', 'chi2v', 'minestateindex', 'xpc_4dv', 'fr_nh0', 'axp_2d', 'vsa_estate8', 'nhohcount', 'smr_vsa6', 'peoe_vsa9', 'smr_vsa5', 'num_r_centers', 'xpc_6dv', 'xc_3d', 'slogp_vsa5', 'axp_7dv', 'minabsestateindex', 'xc_5d', 'vsa_estate10', 'fr_hoccn', 'smr_vsa3', 'vsa_estate1', 'axp_5d', 'num_s_centers', 'axp_1d', 'estate_vsa1', 'fpdensitymorgan3', 'axp_5dv', 'chi3n', 'peoe_vsa6', 'labuteasa', 'chi2n', 'xc_6d', 'xp_7d', 'tpsa', 'xpc_4d', 'avgipc', 'xp_5d', 'vsa_estate5', 'xch_7d', 'xch_5d', 'axp_4dv', 'nbase', 'xc_3dv', 'kappa2', 'axp_3d', 'c1sp3', 'numhacceptors', 'bcut2d_logphi', 'smr_vsa10', 'fr_piperzine', 'peoe_vsa11', 'axp_6dv', 'peoe_vsa10', 'estate_vsa9', 'bcut2d_chghi', 'xp_6d', 'xch_6dv', 'chi0', 'vsa_estate7', 'mi', 'xpc_5d', 'fractioncsp3', 'xp_0dv', 'kappa1', 'minpartialcharge', 'xp_6dv', 'peoe_vsa2', 'chi3v', 'axp_0dv', 'mare', 'xch_5dv', 'vsa_estate4', 'xp_4dv', 'estate_vsa7', 'xp_3d', 'numaliphaticheterocycles', 'chi1', 'xp_3dv', 'fr_ether', 'xch_6d', 'peoe_vsa12', 'xch_7dv', 'axp_1dv', 'axp_7d', 'fr_ndealkylation2', 'smr_vsa9', 'axp_2dv', 'estate_vsa5', 'mpe', 'molwt', 'xch_4d', 'axp_3dv', 'xp_5dv', 'chi4v', 'heavyatommolwt', 'fr_al_oh', 'xpc_5dv', 'xpc_6d', 'maxpartialcharge', 'numatomstereocenters', 'peoe_vsa3', 'fr_aniline', 'minabspartialcharge', 'c3sp3', 'slogp_vsa1', 'exactmolwt', 'chi1n', 'xp_7dv', 'chi0n', 'xp_2d', 'xch_4dv', 'fr_bicyclic', 'xc_4dv', 'axp_4d', 'slogp_vsa4', 'fr_benzene', 'numaromaticheterocycles', 'fr_aryl_methyl', 'fr_pyridine', 'fr_imine', 'chi0v', 'slogp_vsa12'],
     "compressed_features": [],
     "train_all_data": True,
     "hyperparameters": {},
@@ -466,7 +466,7 @@ def predict_fn(df, models) -> pd.DataFrame:
     df["q_50"] = df["prediction"]
 
     # Calculate a pseudo-standard deviation from the 68% interval width
-    df["prediction_std"] = (df["q_84"] - df["q_16"]) / 2.0
+    df["prediction_std"] = (df["q_84"] - df["q_16"]).abs() / 2.0
 
     # Reorder the quantile columns for easier reading
     quantile_cols = ["q_025", "q_05", "q_10", "q_16", "q_25", "q_75", "q_84", "q_90", "q_95", "q_975"]

workbench/model_scripts/uq_models/mapie.template

@@ -466,7 +466,7 @@ def predict_fn(df, models) -> pd.DataFrame:
     df["q_50"] = df["prediction"]
 
     # Calculate a pseudo-standard deviation from the 68% interval width
-    df["prediction_std"] = (df["q_84"] - df["q_16"]) / 2.0
+    df["prediction_std"] = (df["q_84"] - df["q_16"]).abs() / 2.0
 
     # Reorder the quantile columns for easier reading
     quantile_cols = ["q_025", "q_05", "q_10", "q_16", "q_25", "q_75", "q_84", "q_90", "q_95", "q_975"]

workbench/scripts/ml_pipeline_sqs.py

@@ -13,14 +13,21 @@ cm = ConfigManager()
 workbench_bucket = cm.get_config("WORKBENCH_BUCKET")
 
 
-def submit_to_sqs(script_path: str, size: str = "small", realtime: bool = False, recreate: bool = False) -> None:
+def submit_to_sqs(
+    script_path: str, size: str = "small", realtime: bool = False, dt: bool = False, promote: bool = False
+) -> None:
     """
     Upload script to S3 and submit message to SQS queue for processing.
+
     Args:
         script_path: Local path to the ML pipeline script
         size: Job size tier - "small" (default), "medium", or "large"
-        realtime: If True, sets serverless=False for real-time processing (default: False, meaning serverless=True)
-        recreate: If True, sets RECREATE=True in environment (default: False)
+        realtime: If True, sets serverless=False for real-time processing (default: False)
+        dt: If True, sets DT=True in environment (default: False)
+        promote: If True, sets PROMOTE=True in environment (default: False)
+
+    Raises:
+        ValueError: If size is invalid or script file not found
     """
     print(f"\n{'=' * 60}")
     print("🚀  SUBMITTING ML PIPELINE JOB")
@@ -36,7 +43,8 @@ def submit_to_sqs(script_path: str, size: str = "small", realtime: bool = False,
     print(f"📄  Script: {script_file.name}")
     print(f"📏  Size tier: {size}")
     print(f"⚡  Mode: {'Real-time' if realtime else 'Serverless'} (serverless={'False' if realtime else 'True'})")
-    print(f"🔄  Recreate: {recreate}")
+    print(f"🔄  DynamicTraining: {dt}")
+    print(f"🆕  Promote: {promote}")
     print(f"🪣  Bucket: {workbench_bucket}")
     sqs = AWSAccountClamp().boto3_session.client("sqs")
     script_name = script_file.name
@@ -94,14 +102,15 @@ def submit_to_sqs(script_path: str, size: str = "small", realtime: bool = False,
     message = {"script_path": s3_path, "size": size}
 
     # Set environment variables
-    message["environment"] = {"SERVERLESS": "False" if realtime else "True"}
-    if recreate:
-        message["environment"]["RECREATE"] = "True"
-
-    print("\n📨  Sending message to SQS...")
+    message["environment"] = {
+        "SERVERLESS": "False" if realtime else "True",
+        "DT": str(dt),
+        "PROMOTE": str(promote),
+    }
 
     # Send the message to SQS
     try:
+        print("\n📨  Sending message to SQS...")
         response = sqs.send_message(
             QueueUrl=queue_url,
             MessageBody=json.dumps(message, indent=2),
@@ -121,7 +130,8 @@ def submit_to_sqs(script_path: str, size: str = "small", realtime: bool = False,
     print(f"📄  Script: {script_name}")
     print(f"📏  Size: {size}")
     print(f"⚡  Mode: {'Real-time' if realtime else 'Serverless'} (SERVERLESS={'False' if realtime else 'True'})")
-    print(f"🔄  Recreate: {recreate}")
+    print(f"🔄  DynamicTraining: {dt}")
+    print(f"🆕  Promote: {promote}")
     print(f"🆔  Message ID: {message_id}")
     print("\n🔍  MONITORING LOCATIONS:")
     print(f"   • SQS Queue: AWS Console → SQS → {queue_name}")
@@ -144,13 +154,13 @@ def main():
         help="Create realtime endpoints (default is serverless)",
     )
     parser.add_argument(
-        "--recreate",
+        "--dt",
         action="store_true",
-        help="Set RECREATE=True (will force recreation of resources)",
+        help="Set DT=True (models and endpoints will have '-dt' suffix)",
     )
     args = parser.parse_args()
     try:
-        submit_to_sqs(args.script_file, args.size, realtime=args.realtime, recreate=args.recreate)
+        submit_to_sqs(args.script_file, args.size, realtime=args.realtime, dt=args.dt)
     except Exception as e:
         print(f"\n❌  ERROR: {e}")
         log.error(f"Error: {e}")

{workbench-0.8.185.dist-info → workbench-0.8.186.dist-info}/METADATA

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: workbench
-Version: 0.8.185
+Version: 0.8.186
 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

{workbench-0.8.185.dist-info → workbench-0.8.186.dist-info}/RECORD

@@ -54,9 +54,9 @@ workbench/core/artifacts/cached_artifact_mixin.py,sha256=ngqFLZ4cQx_TFouXZgXZQsv
 workbench/core/artifacts/data_capture_core.py,sha256=q8f79rRTYiZ7T4IQRWXl8ZvPpcvZyNxYERwvo8o0OQc,14858
 workbench/core/artifacts/data_source_abstract.py,sha256=5IRCzFVK-17cd4NXPMRfx99vQAmQ0WHE5jcm5RfsVTg,10619
 workbench/core/artifacts/data_source_factory.py,sha256=YL_tA5fsgubbB3dPF6T4tO0rGgz-6oo3ge4i_YXVC-M,2380
-workbench/core/artifacts/endpoint_core.py,sha256=gQdOHtjEeC1WCHbKZNaDQ0eeOka1sCO-zcABDO4_Egk,51965
+workbench/core/artifacts/endpoint_core.py,sha256=FUBs8z5l0D3UsVqmQzjlzkVDzN0fhMcqKXTLAAG1gmc,51966
 workbench/core/artifacts/feature_set_core.py,sha256=7b1o_PzxtwaYC-W2zxlkltiO0fYULA8CVGWwHNmqgtI,31457
-workbench/core/artifacts/model_core.py,sha256=wjoa2GQnzrrTM-E2VgYZHT9Ixebl3LaKbJL0YvEdrJY,51546
+workbench/core/artifacts/model_core.py,sha256=x_FloG9bMUTqUBDYdfl68AaakwNMBCl-BcP-1E9ZpuQ,51545
 workbench/core/artifacts/monitor_core.py,sha256=M307yz7tEzOEHgv-LmtVy9jKjSbM98fHW3ckmNYrwlU,27897
 workbench/core/cloud_platform/cloud_meta.py,sha256=-g4-LTC3D0PXb3VfaXdLR1ERijKuHdffeMK_zhD-koQ,8809
 workbench/core/cloud_platform/aws/README.md,sha256=QT5IQXoUHbIA0qQ2wO6_2P2lYjYQFVYuezc22mWY4i8,97
@@ -156,8 +156,8 @@ workbench/model_scripts/pytorch_model/requirements.txt,sha256=ICS5nW0wix44EJO2tJ
 workbench/model_scripts/scikit_learn/generated_model_script.py,sha256=c73ZpJBlU5k13Nx-ZDkLXu7da40CYyhwjwwmuPq6uLg,12870
 workbench/model_scripts/scikit_learn/requirements.txt,sha256=aVvwiJ3LgBUhM_PyFlb2gHXu_kpGPho3ANBzlOkfcvs,107
 workbench/model_scripts/scikit_learn/scikit_learn.template,sha256=QQvqx-eX9ZTbYmyupq6R6vIQwosmsmY_MRBPaHyfjdk,12586
-workbench/model_scripts/uq_models/generated_model_script.py,sha256=gJb_5jBb4mcf41jb6578H9uYYH6Y-uFtPp1MNKXNFQQ,21231
-workbench/model_scripts/uq_models/mapie.template,sha256=8VzoP-Wp3ECVIDqXVkiTS6bwmn3cd3dDZ2WjYPzXTi8,18955
+workbench/model_scripts/uq_models/generated_model_script.py,sha256=U4_41APyNISnJ3EHnXiaSIEdb3E1M1JT7ECNjsoX4fI,21197
+workbench/model_scripts/uq_models/mapie.template,sha256=2HIwB_658IsZiLIV1RViIZBIGgXxDsJPZinDUu8SchU,18961
 workbench/model_scripts/uq_models/requirements.txt,sha256=fw7T7t_YJAXK3T6Ysbesxh_Agx_tv0oYx72cEBTqRDY,98
 workbench/model_scripts/xgb_model/generated_model_script.py,sha256=Tbn7EMXxZZO8rDdKQ5fYCbpltACsMXNvuusLL9p-U5c,22319
 workbench/model_scripts/xgb_model/requirements.txt,sha256=jWlGc7HH7vqyukTm38LN4EyDi8jDUPEay4n45z-30uc,104
@@ -169,7 +169,7 @@ workbench/resources/signature_verify_pub.pem,sha256=V3-u-3_z2PH-805ybkKvzDOBwAbv
 workbench/scripts/check_double_bond_stereo.py,sha256=p5hnL54Weq77ES0HCELq9JeoM-PyUGkvVSeWYF2dKyo,7776
 workbench/scripts/glue_launcher.py,sha256=bIKQvfGxpAhzbeNvTnHfRW_5kQhY-169_868ZnCejJk,10692
 workbench/scripts/ml_pipeline_batch.py,sha256=1T5JnLlUJR7bwAGBLHmLPOuj1xFRqVIQX8PsuDhHy8o,4907
-workbench/scripts/ml_pipeline_sqs.py,sha256=s1861q4zuvV-aSOhwy8xW1xid9yDVNGioDHxba80Qpg,6185
+workbench/scripts/ml_pipeline_sqs.py,sha256=LxZyaNKmwt3L7SURyO3lwO64FQ0Y0s4HwKPkkahlhUU,6395
 workbench/scripts/monitor_cloud_watch.py,sha256=s7MY4bsHts0nup9G0lWESCvgJZ9Mw1Eo-c8aKRgLjMw,9235
 workbench/scripts/redis_expire.py,sha256=DxI_RKSNlrW2BsJZXcsSbaWGBgPZdPhtzHjV9SUtElE,1120
 workbench/scripts/redis_report.py,sha256=iaJSuGPyLCs6e0TMcZDoT0YyJ43xJ1u74YD8FLnnUg4,990
@@ -287,9 +287,9 @@ 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-0.8.185.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
-workbench-0.8.185.dist-info/METADATA,sha256=4S2A5vuZPlJZpRqFGQFe7nL4DzQjTsKIo-V2x0WzDF0,9210
-workbench-0.8.185.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
-workbench-0.8.185.dist-info/entry_points.txt,sha256=zPFPruY9uayk8-wsKrhfnIyIB6jvZOW_ibyllEIsLWo,356
-workbench-0.8.185.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
-workbench-0.8.185.dist-info/RECORD,,
+workbench-0.8.186.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
+workbench-0.8.186.dist-info/METADATA,sha256=r5n70ah6hgyfQfE3oM0gseinKWI4n6DCpvB7ZJXFLNM,9210
+workbench-0.8.186.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
+workbench-0.8.186.dist-info/entry_points.txt,sha256=zPFPruY9uayk8-wsKrhfnIyIB6jvZOW_ibyllEIsLWo,356
+workbench-0.8.186.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
+workbench-0.8.186.dist-info/RECORD,,