workbench 0.8.168__py3-none-any.whl → 0.8.193__py3-none-any.whl

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (90) hide show
  1. workbench/algorithms/dataframe/proximity.py +143 -102
  2. workbench/algorithms/graph/light/proximity_graph.py +2 -1
  3. workbench/api/compound.py +1 -1
  4. workbench/api/endpoint.py +3 -2
  5. workbench/api/feature_set.py +4 -4
  6. workbench/api/model.py +16 -12
  7. workbench/api/monitor.py +1 -16
  8. workbench/core/artifacts/artifact.py +11 -3
  9. workbench/core/artifacts/data_capture_core.py +355 -0
  10. workbench/core/artifacts/endpoint_core.py +113 -27
  11. workbench/core/artifacts/feature_set_core.py +72 -13
  12. workbench/core/artifacts/model_core.py +71 -49
  13. workbench/core/artifacts/monitor_core.py +33 -249
  14. workbench/core/cloud_platform/aws/aws_account_clamp.py +50 -1
  15. workbench/core/cloud_platform/aws/aws_meta.py +11 -4
  16. workbench/core/transforms/data_to_features/light/molecular_descriptors.py +4 -4
  17. workbench/core/transforms/features_to_model/features_to_model.py +11 -6
  18. workbench/core/transforms/model_to_endpoint/model_to_endpoint.py +36 -6
  19. workbench/core/transforms/pandas_transforms/pandas_to_features.py +27 -0
  20. workbench/core/views/training_view.py +49 -53
  21. workbench/core/views/view.py +51 -1
  22. workbench/core/views/view_utils.py +4 -4
  23. workbench/model_scripts/custom_models/chem_info/mol_descriptors.py +483 -0
  24. workbench/model_scripts/custom_models/chem_info/mol_standardize.py +450 -0
  25. workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py +7 -9
  26. workbench/model_scripts/custom_models/proximity/feature_space_proximity.template +3 -5
  27. workbench/model_scripts/custom_models/proximity/proximity.py +143 -102
  28. workbench/model_scripts/custom_models/uq_models/bayesian_ridge.template +7 -8
  29. workbench/model_scripts/custom_models/uq_models/ensemble_xgb.template +10 -17
  30. workbench/model_scripts/custom_models/uq_models/gaussian_process.template +5 -11
  31. workbench/model_scripts/custom_models/uq_models/meta_uq.template +156 -58
  32. workbench/model_scripts/custom_models/uq_models/ngboost.template +20 -14
  33. workbench/model_scripts/custom_models/uq_models/proximity.py +143 -102
  34. workbench/model_scripts/custom_models/uq_models/requirements.txt +1 -3
  35. workbench/model_scripts/ensemble_xgb/ensemble_xgb.template +5 -13
  36. workbench/model_scripts/pytorch_model/pytorch.template +9 -18
  37. workbench/model_scripts/scikit_learn/scikit_learn.template +4 -9
  38. workbench/model_scripts/script_generation.py +7 -2
  39. workbench/model_scripts/uq_models/mapie.template +492 -0
  40. workbench/model_scripts/uq_models/requirements.txt +1 -0
  41. workbench/model_scripts/xgb_model/generated_model_script.py +34 -43
  42. workbench/model_scripts/xgb_model/xgb_model.template +31 -40
  43. workbench/repl/workbench_shell.py +4 -4
  44. workbench/scripts/lambda_launcher.py +63 -0
  45. workbench/scripts/{ml_pipeline_launcher.py → ml_pipeline_batch.py} +49 -51
  46. workbench/scripts/ml_pipeline_sqs.py +186 -0
  47. workbench/utils/chem_utils/__init__.py +0 -0
  48. workbench/utils/chem_utils/fingerprints.py +134 -0
  49. workbench/utils/chem_utils/misc.py +194 -0
  50. workbench/utils/chem_utils/mol_descriptors.py +483 -0
  51. workbench/utils/chem_utils/mol_standardize.py +450 -0
  52. workbench/utils/chem_utils/mol_tagging.py +348 -0
  53. workbench/utils/chem_utils/projections.py +209 -0
  54. workbench/utils/chem_utils/salts.py +256 -0
  55. workbench/utils/chem_utils/sdf.py +292 -0
  56. workbench/utils/chem_utils/toxicity.py +250 -0
  57. workbench/utils/chem_utils/vis.py +253 -0
  58. workbench/utils/config_manager.py +2 -6
  59. workbench/utils/endpoint_utils.py +5 -7
  60. workbench/utils/license_manager.py +2 -6
  61. workbench/utils/model_utils.py +89 -31
  62. workbench/utils/monitor_utils.py +44 -62
  63. workbench/utils/pandas_utils.py +3 -3
  64. workbench/utils/shap_utils.py +10 -2
  65. workbench/utils/workbench_sqs.py +1 -1
  66. workbench/utils/xgboost_model_utils.py +300 -151
  67. workbench/web_interface/components/model_plot.py +7 -1
  68. workbench/web_interface/components/plugins/dashboard_status.py +3 -1
  69. workbench/web_interface/components/plugins/generated_compounds.py +1 -1
  70. workbench/web_interface/components/plugins/model_details.py +7 -2
  71. workbench/web_interface/components/plugins/scatter_plot.py +3 -3
  72. {workbench-0.8.168.dist-info → workbench-0.8.193.dist-info}/METADATA +24 -2
  73. {workbench-0.8.168.dist-info → workbench-0.8.193.dist-info}/RECORD +77 -72
  74. {workbench-0.8.168.dist-info → workbench-0.8.193.dist-info}/entry_points.txt +3 -1
  75. {workbench-0.8.168.dist-info → workbench-0.8.193.dist-info}/licenses/LICENSE +1 -1
  76. workbench/model_scripts/custom_models/chem_info/local_utils.py +0 -769
  77. workbench/model_scripts/custom_models/chem_info/tautomerize.py +0 -83
  78. workbench/model_scripts/custom_models/proximity/generated_model_script.py +0 -138
  79. workbench/model_scripts/custom_models/uq_models/generated_model_script.py +0 -393
  80. workbench/model_scripts/custom_models/uq_models/mapie_xgb.template +0 -203
  81. workbench/model_scripts/ensemble_xgb/generated_model_script.py +0 -279
  82. workbench/model_scripts/pytorch_model/generated_model_script.py +0 -576
  83. workbench/model_scripts/quant_regression/quant_regression.template +0 -279
  84. workbench/model_scripts/quant_regression/requirements.txt +0 -1
  85. workbench/model_scripts/scikit_learn/generated_model_script.py +0 -307
  86. workbench/utils/chem_utils.py +0 -1556
  87. workbench/utils/fast_inference.py +0 -167
  88. workbench/utils/resource_utils.py +0 -39
  89. {workbench-0.8.168.dist-info → workbench-0.8.193.dist-info}/WHEEL +0 -0
  90. {workbench-0.8.168.dist-info → workbench-0.8.193.dist-info}/top_level.txt +0 -0
@@ -159,7 +159,7 @@ class ScatterPlot(PluginInterface):
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  self.df = self.df.drop(columns=aws_cols, errors="ignore")
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  # Set hover columns and custom data
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- self.hover_columns = kwargs.get("hover_columns", self.df.columns.tolist()[:10])
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+ self.hover_columns = kwargs.get("hover_columns", sorted(self.df.columns.tolist()[:15]))
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  self.suppress_hover_display = kwargs.get("suppress_hover_display", False)
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  self.custom_data = kwargs.get("custom_data", [])
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@@ -427,7 +427,7 @@ if __name__ == "__main__":
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  from workbench.api import DFStore
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- df = DFStore().get("/workbench/models/aqsol-uq/auto_inference")
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+ df = DFStore().get("/workbench/models/aqsol-uq-100/full_cross_fold_inference")
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  # Run the Unit Test on the Plugin
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  PluginUnitTest(
@@ -436,6 +436,6 @@ if __name__ == "__main__":
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  theme="midnight_blue",
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  x="solubility",
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  y="prediction",
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- color="residuals_abs",
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+ color="prediction_std",
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  suppress_hover_display=True,
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  ).run()
@@ -1,15 +1,37 @@
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  Metadata-Version: 2.4
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  Name: workbench
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- Version: 0.8.168
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+ Version: 0.8.193
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  Summary: Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines
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  Author-email: SuperCowPowers LLC <support@supercowpowers.com>
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- License-Expression: MIT
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+ License: MIT License
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+
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+ Copyright (c) 2021-2026 SuperCowPowers LLC
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+
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+ Permission is hereby granted, free of charge, to any person obtaining a copy
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+ of this software and associated documentation files (the "Software"), to deal
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+ in the Software without restriction, including without limitation the rights
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+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
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+ copies of the Software, and to permit persons to whom the Software is
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+ furnished to do so, subject to the following conditions:
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+
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+ The above copyright notice and this permission notice shall be included in all
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+ copies or substantial portions of the Software.
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+
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+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
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+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
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+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
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+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
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+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
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+ SOFTWARE.
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+
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  Project-URL: Homepage, https://github.com/SuperCowPowers/workbench
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  Keywords: SageMaker,Machine Learning,AWS,Python,Utilities
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  Classifier: Development Status :: 4 - Beta
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  Classifier: Programming Language :: Python :: 3.10
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  Classifier: Programming Language :: Python :: 3.11
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  Classifier: Programming Language :: Python :: 3.12
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+ Classifier: Programming Language :: Python :: 3.13
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  Classifier: Topic :: Scientific/Engineering
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  Requires-Python: >=3.10
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  Description-Content-Type: text/markdown
@@ -6,7 +6,7 @@ workbench/algorithms/dataframe/data_source_eda.py,sha256=WgVL6tzBCw1tznQr8RQ6daQ
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  workbench/algorithms/dataframe/feature_space_proximity.py,sha256=6RxzvbpLdDkHMm1D49Nv59SFcyYUj8bisd6_5EpBEGI,3515
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  workbench/algorithms/dataframe/fingerprint_proximity.py,sha256=zqvk2WfY_nRFGC5bYcBbooGfSZsAhZBS8HNQ0GSMpwg,5838
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  workbench/algorithms/dataframe/projection_2d.py,sha256=zK4hc0OQrySmfcfFg8y0GxEL34uDNqvZL4OgttB9vRs,7834
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- workbench/algorithms/dataframe/proximity.py,sha256=zqmNlX70LnWXr5fdtFFQppSNTLjlOciQVrjGr-g9jRE,13716
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+ workbench/algorithms/dataframe/proximity.py,sha256=P8f3GHRhuc4QHj5KkKW0JMrHhIo2QdBiFG-JituTV1U,14633
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  workbench/algorithms/dataframe/storage/aggregation.py,sha256=VuTb7A6Vh6IS5djZeItvOLnnEOlf7tzMQ8OaYIuftvU,2852
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  workbench/algorithms/dataframe/storage/feature_resolution.py,sha256=w_iLf8EFTg7Jc5laH-bsq8MEtZVqcg05W-GihCqR-r4,9450
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  workbench/algorithms/dataframe/storage/feature_spider.py,sha256=uIZ4JHIKuhpy08wBFReSrohb5DGxx8vGroHUbjPm1jE,14353
@@ -17,7 +17,7 @@ workbench/algorithms/graph/__init__.py,sha256=Hi2vBi-qw2OPLZnCu5qVTDdorRMOd3wNIt
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  workbench/algorithms/graph/heavy/Readme.md,sha256=QzefnMevGXHBtaP3umzMNn2KEdNQMvJkJNbhkrUw7QE,96
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  workbench/algorithms/graph/light/Readme.md,sha256=8kP_hRrRC6JtKtl5qyTwrV6gdO5rz6uq54c8WW1fTLg,122
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  workbench/algorithms/graph/light/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- workbench/algorithms/graph/light/proximity_graph.py,sha256=2mb1BLMdKX1NZbhNX3OGcpYED2RHJlTh4l7nd_0jAXE,9584
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+ workbench/algorithms/graph/light/proximity_graph.py,sha256=cwPqyswX4l4my8yGyC3LDZ0Jc5ZkVFx3N6W8xFxfzEY,9651
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  workbench/algorithms/spark/Readme.md,sha256=18bPoFISlT3Ls5t1cBGb5N5Z6lOWyJupQkQxab1wcO4,615
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  workbench/algorithms/sql/Readme.md,sha256=fzm4jQ-unJWT-fp5JhIjpApYSAqHUGSiuHE0eNfbF4A,685
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  workbench/algorithms/sql/__init__.py,sha256=TbOZQwCfx6Tjc3pCCLCiM31wpCX26j5MBNQ6yG11EwY,462
@@ -28,15 +28,15 @@ workbench/algorithms/sql/outliers.py,sha256=2hoilOk0gaz9pwrnGEBY2y7M-UqFED3KO_mF
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  workbench/algorithms/sql/sample_rows.py,sha256=SRYoGb24QP_iPvOoW9bGZ95yZuseYDtyoNhilfoLu34,2688
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  workbench/algorithms/sql/value_counts.py,sha256=F-rZoLTTKv1cHYl2_tDlvWDjczy76uLTr3EMHa-WrEk,3340
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  workbench/api/__init__.py,sha256=kvrP70ypDOMdPGj_Eeftdh8J0lu_1qQVne6GXMkD4_E,1027
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- workbench/api/compound.py,sha256=BHd3Qu4Ra45FEuwiowhFfGMI_HKRRB10XMmoS6ljKrM,2541
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+ workbench/api/compound.py,sha256=kf5EaM5qjWwsZutcxqj9IC_MPnDV1uVHDMns9OA_GOo,2545
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  workbench/api/data_source.py,sha256=Ngz36YZWxFfpJbmURhM1LQPYjh5kdpZNGo6_fCRePbA,8321
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  workbench/api/df_store.py,sha256=Wybb3zO-jPpAi2Ns8Ks1-lagvXAaBlRpBZHhnnl3Lms,6131
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- workbench/api/endpoint.py,sha256=RWGqxsCW_pMiENMb_XZlm2ZCldMS4suEBM3F5gT3hYI,3814
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- workbench/api/feature_set.py,sha256=wzNxNjN0K2FaIC7QUIogMnoHqw2vo0iAHYlGk6fWLCw,6649
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+ workbench/api/endpoint.py,sha256=RDQs78OFRSp9GYGHHph0gLtAfF4p3We96bzdJ4-9bzw,3926
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+ workbench/api/feature_set.py,sha256=Yxei3tvWR4gSLcdJnNndux07dNeKNu1HKgsChJtHxEM,6633
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  workbench/api/graph_store.py,sha256=LremJyPrQFgsHb7hxsctuCsoxx3p7TKtaY5qALHe6pc,4372
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  workbench/api/meta.py,sha256=1_9989cPvf3hd3tA-83hLijOGNnhwXAF8aZF45adeDQ,8596
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- workbench/api/model.py,sha256=2hPN8UK4whZ0kDgPtbR7lEknw7XhH5hGYaHA55jmZWQ,4529
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- workbench/api/monitor.py,sha256=kQHSFiVLRWnHekSdatMKR3QbRj1BBNrVXpZgvV83LPM,5027
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+ workbench/api/model.py,sha256=coIl2QwbfyeVBM_Y2SaU587ioBh2TTDC9r9bOuYme9U,4605
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+ workbench/api/monitor.py,sha256=Cez89Uac7Tzt47FxkjoX-YDGccEhvBcxw3sZFtw4ud8,4506
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  workbench/api/parameter_store.py,sha256=7BObkuATuP6C5AG_46kCWsmuCwuh1vgMJDBSN0gTkwM,4294
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  workbench/api/pipeline.py,sha256=MSYGrDSXrRB_oQELtAlOwBfxSBTw3REAkHy5XBHau0Y,6261
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  workbench/cached/__init__.py,sha256=wvTyIFvusv2HjU3yop6OSr3js5_-SZuR8nPmlCuZQJ4,525
@@ -48,21 +48,22 @@ workbench/cached/cached_model.py,sha256=iMc_fySUE5qau3feduVXMNb24JY0sBjt1g6WeLLc
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  workbench/cached/cached_pipeline.py,sha256=QOVnEKu5RbIdlNpJUi-0Ebh0_-C68RigSPwKh4dvZTM,1948
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  workbench/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  workbench/core/artifacts/__init__.py,sha256=ps7rA_rbWnDbvWbg4kvu--IKMY8WmbPRyv4Si0xub1Q,965
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- workbench/core/artifacts/artifact.py,sha256=mF1lqQ8EP43zMRSxqPYuWoHRwQTjyWdpW9LewU7utEE,17517
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+ workbench/core/artifacts/artifact.py,sha256=WFGC1F61d7uFSRB7UTWYOF8O_wk8F9rn__THJL2veLM,17752
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  workbench/core/artifacts/athena_source.py,sha256=RNmCe7s6uH4gVHpcdJcL84aSbF5Q1ahJBLLGwHYRXEU,26081
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  workbench/core/artifacts/cached_artifact_mixin.py,sha256=ngqFLZ4cQx_TFouXZgXZQsv_7W6XCvxVGXXSfzzaft8,3775
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+ workbench/core/artifacts/data_capture_core.py,sha256=q8f79rRTYiZ7T4IQRWXl8ZvPpcvZyNxYERwvo8o0OQc,14858
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  workbench/core/artifacts/data_source_abstract.py,sha256=5IRCzFVK-17cd4NXPMRfx99vQAmQ0WHE5jcm5RfsVTg,10619
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  workbench/core/artifacts/data_source_factory.py,sha256=YL_tA5fsgubbB3dPF6T4tO0rGgz-6oo3ge4i_YXVC-M,2380
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- workbench/core/artifacts/endpoint_core.py,sha256=6uDOl-VKrTbLMlHZEYFY80XwrCP5H0W36JoHySjhl7M,48163
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- workbench/core/artifacts/feature_set_core.py,sha256=055VdSYR09HP4ygAuYvIYtHQ7Ec4XxsZygpgEl5H5jQ,29136
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- workbench/core/artifacts/model_core.py,sha256=U0dSkpZMrsIgbUglVkPwAgN0gji7Oa7glOjqMQJDAzE,50927
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- workbench/core/artifacts/monitor_core.py,sha256=AIgceuO_YqAmttDdJWcdFcrvE93icfSsTr6WgXWGjYo,37684
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+ workbench/core/artifacts/endpoint_core.py,sha256=VH-q-R4pfKyjCOXl2Gq1pxMNf4Ir0YdMw9YIHqd7CVU,51974
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+ workbench/core/artifacts/feature_set_core.py,sha256=6qOJoJ9_qwtyz4neFY6vMn73Ujjeut7E0dy_e8nYfSE,31462
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+ workbench/core/artifacts/model_core.py,sha256=hY-2w_N4HtCO-vnfVQP22_PYYsnoAQfZzSS3vrP1wYY,51281
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+ workbench/core/artifacts/monitor_core.py,sha256=M307yz7tEzOEHgv-LmtVy9jKjSbM98fHW3ckmNYrwlU,27897
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- workbench/core/cloud_platform/aws/aws_account_clamp.py,sha256=OzFknZXKW7VTvnDGGX4BXKoh0i1gQ7yaEBhkLCyHFSs,6310
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+ workbench/core/cloud_platform/aws/aws_account_clamp.py,sha256=V5iVsoGvSRilARtTdExnt27QptzAcJaW0s3nm2B8-ow,8286
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- workbench/core/cloud_platform/aws/aws_meta.py,sha256=xpidYpDydgWmKmJPrNFWbggahDY-nRXzXTRaEA3c5Sc,34587
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+ workbench/core/cloud_platform/aws/aws_meta.py,sha256=eY9Pn6pl2yAyseACFb2nitR-0vLwG4i8CSEXe8Iaswc,34778
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@@ -96,19 +97,19 @@ workbench/core/transforms/data_to_features/heavy/glue/Readme.md,sha256=TuyCatWfo
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  workbench/core/transforms/data_to_features/heavy/storage/data_to_features_heavy_old.py,sha256=tIfmnUjUAYpJhyHjHmM2D6jIt1pN7SabBqS8exV6f40,6438
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  workbench/core/transforms/data_to_features/light/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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- workbench/core/transforms/data_to_features/light/molecular_descriptors.py,sha256=lxbK8EO4GdBs56mNNjf6GuE9ciNcVUolqcmlVT-0HsE,2460
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+ workbench/core/transforms/data_to_features/light/molecular_descriptors.py,sha256=dOAJsei8-JYoPMzhKQjQVHex7Vx_KexQGQXOQSezq7w,2436
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- workbench/utils/license_manager.py,sha256=sDuhk1mZZqUbFmnuFXehyGnui_ALxrmYBg7gYwoo7ho,6975
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+ workbench/utils/license_manager.py,sha256=lNE9zZIglmX3zqqCKBdN1xqTgHCEZgJDxavF6pdG7fc,6825
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  workbench/utils/markdown_utils.py,sha256=4lEqzgG4EVmLcvvKKNUwNxVCySLQKJTJmWDiaDroI1w,8306
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- workbench/utils/model_utils.py,sha256=YV_OPdRXabte9Zo8v9igs4kW8s6eCngtvapa9jY6X_k,11264
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- workbench/utils/monitor_utils.py,sha256=ywoEdqoHY9t5PYRstjitS_halEWO6veCL_06BekmMVo,9153
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- workbench/utils/pandas_utils.py,sha256=LQTfZ3WJkg3rIahNJhsz1YV2y_0DBG94lO-KMmEY1g0,39325
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+ workbench/utils/model_utils.py,sha256=_Gjr318BkMT7hv9M3g7eBYsFluYVPzMjWjMrpNpqx3A,13921
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+ workbench/utils/monitor_utils.py,sha256=kVaJ7BgUXs3VPMFYfLC03wkIV4Dq-pEhoXS0wkJFxCc,7858
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+ workbench/utils/pandas_utils.py,sha256=uTUx-d1KYfjbS9PMQp2_9FogCV7xVZR6XLzU5YAGmfs,39371
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  workbench/utils/plot_utils.py,sha256=yFveic-4aY7lKT-CPhYdbIkBr-mZqjbhaRmCySWG_kE,6537
@@ -229,9 +224,8 @@ workbench/utils/plugin_manager.py,sha256=JWfyFHQih_J_MMtAT1cgjGVnNVPk9bM917LkfH8
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  workbench/utils/prox_utils.py,sha256=V0YSxI6lboZl8Bed1GUobFqfMhfpehn2FtgqHpkuhDQ,6170
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  workbench/utils/redis_cache.py,sha256=39LFSWmOlNNcah02D3sBnmibc-DPeKC3SNq71K4HaB4,12893
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  workbench/utils/repl_utils.py,sha256=rWOMv2HiEIp8ZL6Ps6DlwiJlGr-pOhv9OZQhm3aR-1A,4668
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- workbench/utils/resource_utils.py,sha256=EM4SrMmRUQnG80aR5M7hmzw86hYdP_S7fRPuqhpDSVo,1435
233
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  workbench/utils/s3_utils.py,sha256=Xme_o_cftC_jWnw6R9YKS6-6C11zaCBAoQDlY3dZb5o,7337
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- workbench/utils/shap_utils.py,sha256=gbrwha7hu64xmMGqr__kQXrMXwJpKHrYghh9RYP62OE,12346
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+ workbench/utils/shap_utils.py,sha256=dtjSIwSyvYSaQjjvIp5A9LGS7pr-5Vt907rvVKOrqNY,12651
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  workbench/utils/shapley_values.py,sha256=3DvQz4HIPnxW42idgtuQ5vtzU-oF4_lToaWzLRjU-E4,3673
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  workbench/utils/symbols.py,sha256=PioF1yAQyOabw7kLg8nhvaZBPFe7ABkpfpPPE0qz_2k,1265
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  workbench/utils/test_data_generator.py,sha256=gqRXL7IUKG4wVfO1onflY3wg7vLkgx402_Zy3iqY7NU,11921
@@ -241,13 +235,24 @@ workbench/utils/type_abbrev.py,sha256=3ai7ZbE8BgvdotOSb48w_BmgrEGVYvLoyzoNYH8ZuO
241
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  workbench/utils/workbench_cache.py,sha256=IQchxB81iR4eVggHBxUJdXxUCRkqWz1jKe5gxN3z6yc,5657
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  workbench/utils/workbench_event_bridge.py,sha256=z1GmXOB-Qs7VOgC6Hjnp2DI9nSEWepaSXejACxTIR7o,4150
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  workbench/utils/workbench_logging.py,sha256=WCuMWhQwibrvcGAyj96h2wowh6dH7zNlDJ7sWUzdCeI,10263
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- workbench/utils/workbench_sqs.py,sha256=WFQTqOxoEdOzPEMmTVZcdPzylmkynZ5aKtvRrOAO06w,2127
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- workbench/utils/xgboost_model_utils.py,sha256=AEBSyIXYFk6vI3u89w7J4VdI1dgNJOgQe6XZv4pUhOM,15501
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+ workbench/utils/workbench_sqs.py,sha256=RwM80z7YWwdtMaCKh7KWF8v38f7eBRU7kyC7ZhTRuI0,2072
239
+ workbench/utils/xgboost_model_utils.py,sha256=lm6XYnPImi3RyHyiJgl2o4HLJ63EghEdSbmwVRMctXg,22786
240
+ workbench/utils/chem_utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
241
+ workbench/utils/chem_utils/fingerprints.py,sha256=Qvs8jaUwguWUq3Q3j695MY0t0Wk3BvroW-oWBwalMUo,5255
242
+ workbench/utils/chem_utils/misc.py,sha256=Nevf8_opu-uIPrv_1_0ubuFVVo2_fGUkMoLAHB3XAeo,7372
243
+ workbench/utils/chem_utils/mol_descriptors.py,sha256=c8gkHZ-8s3HJaW9zN9pnYGK7YVW8Y0xFqQ1G_ysrF2Y,18789
244
+ workbench/utils/chem_utils/mol_standardize.py,sha256=qPLCdVMSXMOWN-01O1isg2zq7eQyFAI0SNatHkRq1uw,17524
245
+ workbench/utils/chem_utils/mol_tagging.py,sha256=8Bt6gHvyN8B2jvVuz12JgYMHVLDkCLnEPAfqkyMEoMc,9995
246
+ workbench/utils/chem_utils/projections.py,sha256=smV-VTB-pqRrgn4DXyDIpuCYcopJdPZ54YoCQv60JY0,7480
247
+ workbench/utils/chem_utils/salts.py,sha256=ZzFb6Z71Z_kMjVF-PKwHx0fn9pN9rPMj-oEY8Nt5JWA,9095
248
+ workbench/utils/chem_utils/sdf.py,sha256=wucyMtnmdg6onBa5N_sX6ONDE4PThJokImFxCBk22RI,10319
249
+ workbench/utils/chem_utils/toxicity.py,sha256=OmVvR05XjP8rLteQ0gjlC5tRh3WitjoahPnSLPhbUXQ,10195
250
+ workbench/utils/chem_utils/vis.py,sha256=ZnNv2o0mab3z09FP8oqtT3z7bAPtBJ61p5u15A2LR1s,8713
246
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  workbench/web_interface/components/component_interface.py,sha256=QCPWqiZLkVsAEzQFEQxFelk7H0UF5uI2dVvJNf0lRV4,7980
247
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  workbench/web_interface/components/correlation_matrix.py,sha256=Lv4vRta5-TdxBsu0G8Ea7hyyR3XyPes-k5AfL6qZWEc,6376
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  workbench/web_interface/components/data_details_markdown.py,sha256=axDs6eXniglBmvFwIKjpJ5oyT-3D4FO9IcfA_cl-EJ8,9706
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  workbench/web_interface/components/endpoint_metric_plots.py,sha256=H0cXuj9UQrrh_2JvRHtq7O8pMXFXKs7o9XpzySENylw,3441
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- workbench/web_interface/components/model_plot.py,sha256=fgmOOxdrRkXN2-uNhY3K-pOsY34I-wcfy2MAnhr9ehY,2415
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+ workbench/web_interface/components/model_plot.py,sha256=Rojx_ZED4P9gvgeEsUm6xnwMNPoeOyn0evw45BWTITc,2536
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  workbench/web_interface/components/plugin_interface.py,sha256=jGRq4igUTVXUT4sDqqsKKI2yjilV0ORNBQq6CjEWE84,9563
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  workbench/web_interface/components/plugin_unit_test.py,sha256=UBZtGztLk2oJMDXfExfxkhHdmXr6ayv4NS0RpwGc8ro,7704
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  workbench/web_interface/components/regression_plot.py,sha256=k18Bd0fcH7ig6kL5GqC_dINci3_YLle_fSEM32zXtzY,3342
@@ -256,18 +261,18 @@ workbench/web_interface/components/experiments/dashboard_metric_plots.py,sha256=
256
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  workbench/web_interface/components/experiments/outlier_plot.py,sha256=5bWsmJEXyt50npeQxLHXCPtiq4WRVgg938Sl0DVjNWg,3647
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  workbench/web_interface/components/plugins/ag_table.py,sha256=HrPOMotlOGigk0v8Cxx_doSHXdOKTT1-bzlsqDwwzng,3979
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  workbench/web_interface/components/plugins/confusion_matrix.py,sha256=1K94JSlDwQwdf5uDYVydQzY-EQm89hYXchxbXoNvons,7176
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- workbench/web_interface/components/plugins/dashboard_status.py,sha256=8Tu38lR5YgntxDjz_x2XfLiW7SOdreNLOFT5VkbYzKo,5748
264
+ workbench/web_interface/components/plugins/dashboard_status.py,sha256=4plmoiXj3dDjoQerUNpep_jfk50pI9rHvcoSP20UbE8,5832
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  workbench/web_interface/components/plugins/data_details.py,sha256=pZm1AbM_0EXQwx77qUkfyrU9MedAs4Wlkp6iOtSrUtI,11104
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  workbench/web_interface/components/plugins/endpoint_details.py,sha256=0A7g_Lx5-3XnDWOGT3YEDPNpmME_-WfYc65f-rRVjJE,3769
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- workbench/web_interface/components/plugins/generated_compounds.py,sha256=hC0sh-1_rbN55Huno-E_2wF37kgIHi5Mtaer6Xk5fRM,8052
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+ workbench/web_interface/components/plugins/generated_compounds.py,sha256=A6JGlkl7buZUugPK21YgufVFDRoGlHJowaqf8PAmz_s,8056
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  workbench/web_interface/components/plugins/graph_plot.py,sha256=JFzuSH_CkEmlaLAgFpzmiEpS3sXov0ycnCfP0VLsK2g,14502
264
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  workbench/web_interface/components/plugins/license_details.py,sha256=UyMSBGxEgdp3m9szDkDUAl_Ua8C5a4RNMdYpYCx354M,5497
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- workbench/web_interface/components/plugins/model_details.py,sha256=BBvT3zdGHpRWz4V9SpNO0AFMPaExWMbNAE1_onfCGRI,10294
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+ workbench/web_interface/components/plugins/model_details.py,sha256=S5J7LmN39F-oWbPQjndv0T3XKEKLDm6pz3JY4274O2M,10468
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  workbench/web_interface/components/plugins/molecule_panel.py,sha256=xGCEI5af8F5lNId5eKUpetdQs_ahnIPdW6U7wKvbz2o,3515
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  workbench/web_interface/components/plugins/molecule_viewer.py,sha256=xavixcu4RNzh6Nj_-3-XlK09DgpNx5jGmo3wEPNftiE,4529
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  workbench/web_interface/components/plugins/pipeline_details.py,sha256=caiFIakHk-1dGGNW7wlio2X7iAm2_tCNbSjDzoRWGEk,5534
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  workbench/web_interface/components/plugins/proximity_mini_graph.py,sha256=b_YYnvLczJUhaDbrrXnyjUDYF7C4R4ufCZXtJiyRnJ0,7233
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- workbench/web_interface/components/plugins/scatter_plot.py,sha256=j8J1-m_xZjG0hgaMevbRvKaTAze0GglpMMDlP3WA_6U,19106
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+ workbench/web_interface/components/plugins/scatter_plot.py,sha256=8tYnHlgi2UnuKLoxi9-89QF8ZHFrPhpRkzBY5gzlVdo,19130
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  workbench/web_interface/components/plugins/shap_summary_plot.py,sha256=_V-xxVehU-60IpYWvAqTW5x_6u6pbjz9mI8r0ppIXKg,9454
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  workbench/web_interface/page_views/data_sources_page_view.py,sha256=SXNUG6n_eP9i4anddEXd5E9rMRt-R2EyNR-bbe8OQK4,4673
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  workbench/web_interface/page_views/endpoints_page_view.py,sha256=EI3hA18pEn-mAPEzGAw0W-wM8qJR2j_8pQEJlbJCENk,2770
@@ -276,9 +281,9 @@ workbench/web_interface/page_views/main_page.py,sha256=X4-KyGTKLAdxR-Zk2niuLJB2Y
276
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  workbench/web_interface/page_views/models_page_view.py,sha256=M0bdC7bAzLyIaE2jviY12FF4abdMFZmg6sFuOY_LaGI,2650
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  workbench/web_interface/page_views/page_view.py,sha256=Gh6YnpOGlUejx-bHZAf5pzqoQ1H1R0OSwOpGhOBO06w,455
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  workbench/web_interface/page_views/pipelines_page_view.py,sha256=v2pxrIbsHBcYiblfius3JK766NZ7ciD2yPx0t3E5IJo,2656
279
- workbench-0.8.168.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
280
- workbench-0.8.168.dist-info/METADATA,sha256=PTFR16ft5NCrG-_umsJKrIJSa3eLnpju1EkXZmafxxM,9210
281
- workbench-0.8.168.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
282
- workbench-0.8.168.dist-info/entry_points.txt,sha256=V_v6hQ4DYoCJnTnqbm036reCri_CXkA_ONcRSuF5OKg,305
283
- workbench-0.8.168.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
284
- workbench-0.8.168.dist-info/RECORD,,
284
+ workbench-0.8.193.dist-info/licenses/LICENSE,sha256=RTBoTMeEwTgEhS-n8vgQ-VUo5qig0PWVd8xFPKU6Lck,1080
285
+ workbench-0.8.193.dist-info/METADATA,sha256=vW41RDdu0YekBKST6qabwNkGWXpcDgXaqPhk0YvolRU,10495
286
+ workbench-0.8.193.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
287
+ workbench-0.8.193.dist-info/entry_points.txt,sha256=o7ohD4D2oygnHp7i9-C0LfcHDuPW5Tv0JXGAg97DpGk,413
288
+ workbench-0.8.193.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
289
+ workbench-0.8.193.dist-info/RECORD,,
@@ -1,6 +1,8 @@
1
1
  [console_scripts]
2
2
  cloud_watch = workbench.scripts.monitor_cloud_watch:main
3
3
  glue_launcher = workbench.scripts.glue_launcher:main
4
- ml_pipeline_launcher = workbench.scripts.ml_pipeline_launcher:main
4
+ lambda_launcher = workbench.scripts.lambda_launcher:main
5
+ ml_pipeline_batch = workbench.scripts.ml_pipeline_batch:main
6
+ ml_pipeline_sqs = workbench.scripts.ml_pipeline_sqs:main
5
7
  workbench = workbench.repl.workbench_shell:launch_shell
6
8
  workbench_config = workbench.scripts.show_config:main
@@ -1,6 +1,6 @@
1
1
  MIT License
2
2
 
3
- Copyright (c) 2021-2024 SuperCowPowers LLC
3
+ Copyright (c) 2021-2026 SuperCowPowers LLC
4
4
 
5
5
  Permission is hereby granted, free of charge, to any person obtaining a copy
6
6
  of this software and associated documentation files (the "Software"), to deal