workbench 0.8.177__tar.gz → 0.8.198__tar.gz

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  1. {workbench-0.8.177 → workbench-0.8.198}/.github/workflows/python-lint.yml +2 -3
  2. workbench-0.8.198/Dockerfile +7 -0
  3. {workbench-0.8.177 → workbench-0.8.198}/LICENSE +1 -1
  4. {workbench-0.8.177 → workbench-0.8.198}/PKG-INFO +24 -2
  5. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/Dockerfile +1 -1
  6. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/workbench_compute/workbench_compute_stack.py +6 -12
  7. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/app.py +1 -1
  8. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_lite/app.py +1 -1
  9. {workbench-0.8.177 → workbench-0.8.198}/docs/api_classes/endpoint.md +3 -7
  10. {workbench-0.8.177 → workbench-0.8.198}/docs/api_classes/overview.md +2 -7
  11. {workbench-0.8.177 → workbench-0.8.198}/docs/api_classes/views.md +2 -2
  12. {workbench-0.8.177 → workbench-0.8.198}/docs/core_classes/views/overview.md +2 -2
  13. {workbench-0.8.177 → workbench-0.8.198}/examples/endpoint/endpoint_inference.py +3 -7
  14. {workbench-0.8.177 → workbench-0.8.198}/examples/full_ml_pipeline.py +1 -3
  15. {workbench-0.8.177 → workbench-0.8.198}/experiments/chemprop_model.py +2 -2
  16. {workbench-0.8.177 → workbench-0.8.198}/experiments/pytorch_model.py +2 -2
  17. workbench-0.8.198/ml_pipelines/hyper_uq.py +50 -0
  18. workbench-0.8.198/model_docker_images/inference/requirements.txt +9 -0
  19. {workbench-0.8.177 → workbench-0.8.198}/model_docker_images/ml_pipelines/Dockerfile +2 -2
  20. workbench-0.8.198/model_docker_images/ml_pipelines/requirements.txt +16 -0
  21. {workbench-0.8.177 → workbench-0.8.198}/model_docker_images/tests/example_model_script.py +2 -2
  22. workbench-0.8.198/model_docker_images/training/requirements.txt +7 -0
  23. {workbench-0.8.177 → workbench-0.8.198}/notebooks/Inference_On_Legacy_Models.ipynb +2 -2
  24. {workbench-0.8.177 → workbench-0.8.198}/notebooks/ML_Pipeline_with_Workbench_2.ipynb +1 -1
  25. {workbench-0.8.177 → workbench-0.8.198}/pyproject.toml +3 -1
  26. workbench-0.8.198/scripts/delete_data_capture.py +72 -0
  27. workbench-0.8.198/scripts/sagemaker_feature_group_issue.py +61 -0
  28. workbench-0.8.198/scripts/test_feature_set_creation.py +20 -0
  29. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/algorithms/dataframe/__init__.py +1 -2
  30. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/algorithms/dataframe/fingerprint_proximity.py +2 -2
  31. workbench-0.8.198/src/workbench/algorithms/dataframe/proximity.py +403 -0
  32. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/algorithms/graph/light/proximity_graph.py +8 -7
  33. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/api/endpoint.py +2 -2
  34. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/api/model.py +12 -14
  35. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/artifacts/endpoint_core.py +100 -25
  36. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/artifacts/feature_set_core.py +197 -16
  37. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/artifacts/model_core.py +70 -55
  38. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/transforms/features_to_model/features_to_model.py +8 -3
  39. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/transforms/pandas_transforms/pandas_to_features.py +27 -0
  40. workbench-0.8.198/src/workbench/core/views/training_view.py +231 -0
  41. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/views/view.py +51 -1
  42. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/core/views/view_utils.py +4 -4
  43. workbench-0.8.198/src/workbench/model_scripts/__pycache__/script_generation.cpython-312.pyc +0 -0
  44. workbench-0.8.198/src/workbench/model_scripts/__pycache__/script_generation.cpython-313.pyc +0 -0
  45. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/custom_models/proximity/feature_space_proximity.template +3 -5
  46. workbench-0.8.198/src/workbench/model_scripts/custom_models/proximity/proximity.py +403 -0
  47. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/custom_models/uq_models/bayesian_ridge.template +7 -8
  48. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/custom_models/uq_models/ensemble_xgb.template +10 -17
  49. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/custom_models/uq_models/gaussian_process.template +5 -11
  50. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/custom_models/uq_models/meta_uq.template +7 -22
  51. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/custom_models/uq_models/ngboost.template +5 -12
  52. workbench-0.8.198/src/workbench/model_scripts/custom_models/uq_models/proximity.py +403 -0
  53. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/ensemble_xgb/ensemble_xgb.template +5 -13
  54. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/pytorch_model/generated_model_script.py +14 -23
  55. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/pytorch_model/pytorch.template +9 -18
  56. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/scikit_learn/scikit_learn.template +4 -9
  57. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/script_generation.py +2 -2
  58. {workbench-0.8.177/src/workbench/model_scripts/custom_models → workbench-0.8.198/src/workbench/model_scripts}/uq_models/generated_model_script.py +146 -51
  59. {workbench-0.8.177/src/workbench/model_scripts/custom_models → workbench-0.8.198/src/workbench/model_scripts}/uq_models/mapie.template +144 -49
  60. workbench-0.8.198/src/workbench/model_scripts/uq_models/requirements.txt +1 -0
  61. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/xgb_model/generated_model_script.py +28 -37
  62. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/model_scripts/xgb_model/xgb_model.template +24 -33
  63. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/repl/workbench_shell.py +4 -4
  64. workbench-0.8.198/src/workbench/scripts/lambda_launcher.py +63 -0
  65. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/scripts/ml_pipeline_sqs.py +51 -4
  66. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/utils/config_manager.py +2 -6
  67. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/utils/endpoint_utils.py +5 -7
  68. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/utils/license_manager.py +2 -6
  69. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/utils/model_utils.py +77 -31
  70. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/utils/shap_utils.py +10 -2
  71. workbench-0.8.198/src/workbench/utils/xgboost_model_utils.py +626 -0
  72. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/web_interface/components/model_plot.py +7 -1
  73. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/web_interface/components/plugin_unit_test.py +5 -2
  74. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/web_interface/components/plugins/model_details.py +9 -7
  75. {workbench-0.8.177 → workbench-0.8.198}/src/workbench/web_interface/components/plugins/scatter_plot.py +3 -3
  76. {workbench-0.8.177 → workbench-0.8.198}/src/workbench.egg-info/PKG-INFO +24 -2
  77. {workbench-0.8.177 → workbench-0.8.198}/src/workbench.egg-info/SOURCES.txt +33 -29
  78. {workbench-0.8.177 → workbench-0.8.198}/src/workbench.egg-info/entry_points.txt +1 -0
  79. {workbench-0.8.177/tests/create_test_artifacts → workbench-0.8.198/test_artifacts}/create_aqsol_uq_artifacts.py +9 -21
  80. workbench-0.8.198/test_artifacts/hyper_testing.py +70 -0
  81. workbench-0.8.198/test_artifacts/hyper_uq_testing.py +54 -0
  82. {workbench-0.8.177 → workbench-0.8.198}/tests/artifacts/endpoint_tests.py +7 -7
  83. {workbench-0.8.177 → workbench-0.8.198}/tests/pytorch/pytorch_hello.py +2 -2
  84. {workbench-0.8.177 → workbench-0.8.198}/tox.ini +12 -7
  85. workbench-0.8.177/Dockerfile +0 -31
  86. workbench-0.8.177/model_docker_images/inference/requirements.txt +0 -9
  87. workbench-0.8.177/model_docker_images/ml_pipelines/requirements.txt +0 -16
  88. workbench-0.8.177/model_docker_images/training/requirements.txt +0 -7
  89. workbench-0.8.177/src/workbench/algorithms/dataframe/proximity.py +0 -384
  90. workbench-0.8.177/src/workbench/core/views/training_view.py +0 -160
  91. workbench-0.8.177/src/workbench/model_scripts/custom_models/proximity/generated_model_script.py +0 -138
  92. workbench-0.8.177/src/workbench/model_scripts/custom_models/proximity/proximity.py +0 -384
  93. workbench-0.8.177/src/workbench/model_scripts/custom_models/uq_models/proximity.py +0 -384
  94. workbench-0.8.177/src/workbench/model_scripts/ensemble_xgb/generated_model_script.py +0 -279
  95. workbench-0.8.177/src/workbench/model_scripts/quant_regression/quant_regression.template +0 -279
  96. workbench-0.8.177/src/workbench/model_scripts/scikit_learn/generated_model_script.py +0 -307
  97. workbench-0.8.177/src/workbench/model_scripts/xgb_model/requirements.txt +0 -1
  98. workbench-0.8.177/src/workbench/utils/resource_utils.py +0 -39
  99. workbench-0.8.177/src/workbench/utils/xgboost_model_utils.py +0 -417
  100. {workbench-0.8.177 → workbench-0.8.198}/.flake8 +0 -0
  101. {workbench-0.8.177 → workbench-0.8.198}/.github/PULL_REQUEST_TEMPLATE.md +0 -0
  102. {workbench-0.8.177 → workbench-0.8.198}/.github/dependabot.yml +0 -0
  103. {workbench-0.8.177 → workbench-0.8.198}/.github/workflows/deploy-docs.yml +0 -0
  104. {workbench-0.8.177 → workbench-0.8.198}/.gitignore +0 -0
  105. {workbench-0.8.177 → workbench-0.8.198}/CONTRIBUTING.md +0 -0
  106. {workbench-0.8.177 → workbench-0.8.198}/Makefile +0 -0
  107. {workbench-0.8.177 → workbench-0.8.198}/README.md +0 -0
  108. {workbench-0.8.177 → workbench-0.8.198}/SECURITY.md +0 -0
  109. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/README.md +0 -0
  110. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/app.py +0 -0
  111. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/assets/favicon.ico +0 -0
  112. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/dashboard +0 -0
  113. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/deploy.sh +0 -0
  114. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/nginx.conf +0 -0
  115. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/open_source_config.json +0 -0
  116. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/data_sources/callbacks.py +0 -0
  117. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/data_sources/layout.py +0 -0
  118. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/data_sources/page.py +0 -0
  119. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/endpoints/callbacks.py +0 -0
  120. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/endpoints/layout.py +0 -0
  121. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/endpoints/page.py +0 -0
  122. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/feature_sets/callbacks.py +0 -0
  123. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/feature_sets/layout.py +0 -0
  124. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/feature_sets/page.py +0 -0
  125. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/license/page.py +0 -0
  126. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/main/callbacks.py +0 -0
  127. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/main/layout.py +0 -0
  128. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/main/page.py +0 -0
  129. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/models/callbacks.py +0 -0
  130. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/models/layout.py +0 -0
  131. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/models/page.py +0 -0
  132. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/pipelines/callbacks.py +0 -0
  133. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/pipelines/layout.py +0 -0
  134. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/pipelines/page.py +0 -0
  135. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/pages/status/page.py +0 -0
  136. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/static/dark.css +0 -0
  137. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/static/light.css +0 -0
  138. {workbench-0.8.177 → workbench-0.8.198}/applications/aws_dashboard/supervisord.conf +0 -0
  139. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/Dockerfile +0 -0
  140. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/README.md +0 -0
  141. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/app.py +0 -0
  142. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/assets/favicon.ico +0 -0
  143. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/callbacks.py +0 -0
  144. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/explorer +0 -0
  145. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/layout.py +0 -0
  146. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/nginx.conf +0 -0
  147. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/open_source_config.json +0 -0
  148. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/requirements.txt +0 -0
  149. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/storage/callbacks.py +0 -0
  150. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/storage/callbacks_new.py +0 -0
  151. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/storage/layout_new.py +0 -0
  152. {workbench-0.8.177 → workbench-0.8.198}/applications/compound_explorer/supervisord.conf +0 -0
  153. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/aws_account_setup.py +0 -0
  154. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/aws_identity_check.py +0 -0
  155. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/build_ml_pipeline.py +0 -0
  156. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/.gitignore +0 -0
  157. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/README.md +0 -0
  158. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/app.py +0 -0
  159. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/cdk.json +0 -0
  160. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/compound_explorer/__init__.py +0 -0
  161. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/compound_explorer/compound_explorer_stack.py +0 -0
  162. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/compound_explorer/requirements.txt +0 -0
  163. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/event_bridge/Readme.md +0 -0
  164. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/README.md +0 -0
  165. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/app.py +0 -0
  166. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/cdk.json +0 -0
  167. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/requirements.txt +0 -0
  168. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/tests/__init__.py +0 -0
  169. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/tests/unit/__init__.py +0 -0
  170. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/tests/unit/test_workbench_compute_stack.py +0 -0
  171. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_compute/workbench_compute/__init__.py +0 -0
  172. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/.gitignore +0 -0
  173. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/README.md +0 -0
  174. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/app.py +0 -0
  175. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/cdk.json +0 -0
  176. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/requirements-dev.txt +0 -0
  177. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/requirements.txt +0 -0
  178. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/source.bat +0 -0
  179. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/workbench_core/__init__.py +0 -0
  180. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_core/workbench_core/workbench_core_stack.py +0 -0
  181. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/.gitignore +0 -0
  182. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/README.md +0 -0
  183. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/cdk.json +0 -0
  184. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/requirements-dev.txt +0 -0
  185. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/requirements.txt +0 -0
  186. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/source.bat +0 -0
  187. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/workbench_dashboard_full/__init__.py +0 -0
  188. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_full/workbench_dashboard_full/workbench_dashboard_stack.py +0 -0
  189. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_lite/.gitignore +0 -0
  190. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_lite/README.md +0 -0
  191. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_lite/cdk.json +0 -0
  192. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_lite/requirements.txt +0 -0
  193. {workbench-0.8.177 → workbench-0.8.198}/aws_setup/workbench_dashboard_lite/workbench_dashboard_lite/__init__.py +0 -0
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  764. {workbench-0.8.177 → workbench-0.8.198}/tests/artifacts/model_tests.py +0 -0
  765. {workbench-0.8.177 → workbench-0.8.198}/tests/aws_account/aws_account_clamp_tests.py +0 -0
  766. {workbench-0.8.177 → workbench-0.8.198}/tests/cached/cached_artifact_tests.py +0 -0
  767. {workbench-0.8.177 → workbench-0.8.198}/tests/chem_info/test_tautomerization.py +0 -0
  768. {workbench-0.8.177 → workbench-0.8.198}/tests/corner_cases/end_to_end.py +0 -0
  769. {workbench-0.8.177 → workbench-0.8.198}/tests/df_store/df_store_tests.py +0 -0
  770. {workbench-0.8.177 → workbench-0.8.198}/tests/lambda/decompress_layers.py +0 -0
  771. {workbench-0.8.177 → workbench-0.8.198}/tests/pandas_tests/test_drift.py +0 -0
  772. {workbench-0.8.177 → workbench-0.8.198}/tests/parameter_store/param_store_tests.py +0 -0
  773. {workbench-0.8.177 → workbench-0.8.198}/tests/plugin_tests/crashing_plugin.py +0 -0
  774. {workbench-0.8.177 → workbench-0.8.198}/tests/requirements-dev.txt +0 -0
  775. {workbench-0.8.177 → workbench-0.8.198}/tests/specific/capital_tests.py +0 -0
  776. {workbench-0.8.177 → workbench-0.8.198}/tests/specific/column_changes.py +0 -0
  777. {workbench-0.8.177 → workbench-0.8.198}/tests/specific/config_manager.py +0 -0
  778. {workbench-0.8.177 → workbench-0.8.198}/tests/specific/deletion_tests.py +0 -0
  779. {workbench-0.8.177 → workbench-0.8.198}/tests/specific/shap_tests.py +0 -0
  780. {workbench-0.8.177 → workbench-0.8.198}/tests/transforms/data_to_data_tests.py +0 -0
  781. {workbench-0.8.177 → workbench-0.8.198}/tests/transforms/data_to_features_tests.py +0 -0
  782. {workbench-0.8.177 → workbench-0.8.198}/tests/transforms/features_to_model_tests.py +0 -0
  783. {workbench-0.8.177 → workbench-0.8.198}/tests/transforms/model_to_endpoint_tests.py +0 -0
  784. {workbench-0.8.177 → workbench-0.8.198}/tests/transforms/pandas_to_data_tests.py +0 -0
  785. {workbench-0.8.177 → workbench-0.8.198}/tests/transforms/pandas_to_features_test.py +0 -0
  786. {workbench-0.8.177 → workbench-0.8.198}/tests/views/view_tests.py +0 -0
  787. {workbench-0.8.177 → workbench-0.8.198}/tests/views/view_tests_complex.py +0 -0
  788. {workbench-0.8.177 → workbench-0.8.198}/tests/web_components/confusion_matrix_test.py +0 -0
  789. {workbench-0.8.177 → workbench-0.8.198}/tests/web_components/correlation_matrix_test.py +0 -0
  790. {workbench-0.8.177 → workbench-0.8.198}/tests/web_components/graph_plot_test.py +0 -0
  791. {workbench-0.8.177 → workbench-0.8.198}/tests/web_components/plugin_interface_test.py +0 -0
  792. {workbench-0.8.177 → workbench-0.8.198}/tests/web_components/scatter_plot_test.py +0 -0
  793. {workbench-0.8.177 → workbench-0.8.198}/ui_testing/assets/custom.css +0 -0
  794. {workbench-0.8.177 → workbench-0.8.198}/ui_testing/table_comparison.py +0 -0
  795. {workbench-0.8.177 → workbench-0.8.198}/ui_testing/theme_switching.py +0 -0
  796. {workbench-0.8.177 → workbench-0.8.198}/ui_testing/theme_switching_2.py +0 -0
@@ -12,9 +12,9 @@ jobs:
12
12
  - uses: actions/checkout@v4
13
13
 
14
14
  - name: Set up Python
15
- uses: actions/setup-python@v4
15
+ uses: actions/setup-python@v5
16
16
  with:
17
- python-version: '3.x'
17
+ python-version: '3.13'
18
18
 
19
19
  - name: Install dependencies
20
20
  run: |
@@ -27,4 +27,3 @@ jobs:
27
27
  - name: Run Flake8 (Linting)
28
28
  run: |
29
29
  flake8 --exclude '*generated*' src/workbench applications tests
30
-
@@ -0,0 +1,7 @@
1
+ FROM python:3.12-slim
2
+
3
+ ARG WORKBENCH_VERSION=
4
+ RUN apt-get update && apt-get upgrade -y && \
5
+ apt-get install -y --no-install-recommends libexpat1 libnghttp2-dev && \
6
+ apt-get clean && rm -rf /var/lib/apt/lists/* && \
7
+ pip install --no-cache-dir workbench${WORKBENCH_VERSION:+==$WORKBENCH_VERSION}
@@ -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
@@ -1,15 +1,37 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: workbench
3
- Version: 0.8.177
3
+ Version: 0.8.198
4
4
  Summary: Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines
5
5
  Author-email: SuperCowPowers LLC <support@supercowpowers.com>
6
- License-Expression: MIT
6
+ License: MIT License
7
+
8
+ Copyright (c) 2021-2026 SuperCowPowers LLC
9
+
10
+ Permission is hereby granted, free of charge, to any person obtaining a copy
11
+ of this software and associated documentation files (the "Software"), to deal
12
+ in the Software without restriction, including without limitation the rights
13
+ to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
14
+ copies of the Software, and to permit persons to whom the Software is
15
+ furnished to do so, subject to the following conditions:
16
+
17
+ The above copyright notice and this permission notice shall be included in all
18
+ copies or substantial portions of the Software.
19
+
20
+ THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
21
+ IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
22
+ FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
23
+ AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
24
+ LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
25
+ OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
26
+ SOFTWARE.
27
+
7
28
  Project-URL: Homepage, https://github.com/SuperCowPowers/workbench
8
29
  Keywords: SageMaker,Machine Learning,AWS,Python,Utilities
9
30
  Classifier: Development Status :: 4 - Beta
10
31
  Classifier: Programming Language :: Python :: 3.10
11
32
  Classifier: Programming Language :: Python :: 3.11
12
33
  Classifier: Programming Language :: Python :: 3.12
34
+ Classifier: Programming Language :: Python :: 3.13
13
35
  Classifier: Topic :: Scientific/Engineering
14
36
  Requires-Python: >=3.10
15
37
  Description-Content-Type: text/markdown
@@ -7,7 +7,7 @@ EXPOSE 8000
7
7
  ENV PYTHONHASHSEED=0
8
8
 
9
9
  # Define workbench version
10
- ARG WORKBENCH_VERSION=0.8.165
10
+ ARG WORKBENCH_VERSION=0.8.196
11
11
 
12
12
  # Install system packages and gunicorn in one layer
13
13
  RUN apt-get update && apt-get install -y --no-install-recommends \
@@ -9,6 +9,7 @@ from aws_cdk import (
9
9
  aws_sqs as sqs,
10
10
  aws_lambda as lambda_,
11
11
  aws_lambda_event_sources as lambda_events,
12
+ aws_logs as logs,
12
13
  Duration,
13
14
  Size,
14
15
  )
@@ -95,6 +96,7 @@ class WorkbenchComputeStack(Stack):
95
96
  compute_environment_name="workbench-compute-env",
96
97
  vpc=vpc,
97
98
  vpc_subnets=vpc_subnets,
99
+ maxv_cpus=16, # Limit to 16 vCPU to minimize AWS Throttling issues
98
100
  )
99
101
 
100
102
  def create_batch_job_queue(self) -> batch.JobQueue:
@@ -118,7 +120,7 @@ class WorkbenchComputeStack(Stack):
118
120
  "MLPipelineRepo",
119
121
  repository_arn=f"arn:aws:ecr:{self.region}:507740646243:repository/aws-ml-images/py312-ml-pipelines",
120
122
  ),
121
- tag="0.1",
123
+ tag="0.2",
122
124
  )
123
125
 
124
126
  # Job Definition Tiers
@@ -192,6 +194,7 @@ class WorkbenchComputeStack(Stack):
192
194
  handler="index.lambda_handler",
193
195
  code=lambda_.Code.from_inline(self._get_lambda_code()),
194
196
  timeout=Duration.minutes(5),
197
+ log_retention=logs.RetentionDays.ONE_WEEK,
195
198
  environment={
196
199
  "WORKBENCH_BUCKET": self.workbench_bucket,
197
200
  "JOB_QUEUE": self.batch_job_queue.job_queue_name,
@@ -205,7 +208,7 @@ class WorkbenchComputeStack(Stack):
205
208
  # Connect SQS to Lambda
206
209
  batch_trigger_lambda.add_event_source(
207
210
  lambda_events.SqsEventSource(
208
- self.ml_pipeline_queue, batch_size=1, max_concurrency=5 # Limit parallel Batch job submissions
211
+ self.ml_pipeline_queue, batch_size=1 # One message at a time for precise error handling
209
212
  )
210
213
  )
211
214
  return batch_trigger_lambda
@@ -241,8 +244,6 @@ class WorkbenchComputeStack(Stack):
241
244
  script_path = message['script_path'] # s3://bucket/path/to/script.py
242
245
  size = message.get('size', 'small')
243
246
  extra_env = message.get('environment', {})
244
- model_outputs = message.get('MODEL_OUTPUTS', [])
245
- endpoint_outputs = message.get('ENDPOINT_OUTPUTS', [])
246
247
 
247
248
  script_name = Path(script_path).stem
248
249
  job_name = f"workbench_{script_name}_{datetime.now():%Y%m%d_%H%M%S}"
@@ -257,14 +258,7 @@ class WorkbenchComputeStack(Stack):
257
258
  *[{'name': k, 'value': v} for k, v in extra_env.items()]
258
259
  ]
259
260
 
260
- # Add MODEL_OUTPUTS as comma-separated list if provided
261
- if model_outputs:
262
- env_vars.append({'name': 'MODEL_OUTPUTS', 'value': ','.join(model_outputs)})
263
-
264
- # Add ENDPOINT_OUTPUTS as comma-separated list if provided
265
- if endpoint_outputs:
266
- env_vars.append({'name': 'ENDPOINT_OUTPUTS', 'value': ','.join(endpoint_outputs)})
267
-
261
+ # Submit Batch job to the queue
268
262
  response = batch.submit_job(
269
263
  jobName=job_name,
270
264
  jobQueue=JOB_QUEUE,
@@ -12,7 +12,7 @@ print(f"Account: {aws_account}")
12
12
  print(f"Region: {aws_region}")
13
13
 
14
14
  # When you want a different docker image change this line
15
- dashboard_image = "public.ecr.aws/m6i5k1r2/workbench_dashboard:v0_8_165_amd64"
15
+ dashboard_image = "public.ecr.aws/m6i5k1r2/workbench_dashboard:v0_8_196_amd64"
16
16
 
17
17
  # Workbench Configuration
18
18
  try:
@@ -13,7 +13,7 @@ print(f"Account: {aws_account}")
13
13
  print(f"Region: {aws_region}")
14
14
 
15
15
  # When you want a different docker image change this line
16
- dashboard_image = "public.ecr.aws/m6i5k1r2/workbench_dashboard:v0_8_165_amd64"
16
+ dashboard_image = "public.ecr.aws/m6i5k1r2/workbench_dashboard:v0_8_196_amd64"
17
17
 
18
18
  # Workbench Configuration
19
19
  try:
@@ -11,19 +11,15 @@
11
11
  **Run Inference on an Endpoint**
12
12
 
13
13
  ```py title="endpoint_inference.py"
14
- from workbench.api.feature_set import FeatureSet
15
- from workbench.api.model import Model
16
- from workbench.api.endpoint import Endpoint
14
+ from workbench.api import Endpoint
15
+ from workbench.utils.endpoint_utils import get_evaluation_data
17
16
 
18
17
  # Grab an existing Endpoint
19
18
  endpoint = Endpoint("abalone-regression-end")
20
19
 
21
20
  # Workbench has full ML Pipeline provenance, so we can backtrack the inputs,
22
21
  # get a DataFrame of data (not used for training) and run inference
23
- model = Model(endpoint.get_input())
24
- fs = FeatureSet(model.get_input())
25
- athena_table = fs.view("training").table
26
- df = fs.query(f"SELECT * FROM {athena_table} where training = FALSE")
22
+ df = get_evaluation_data(endpoint)
27
23
 
28
24
  # Run inference/predictions on the Endpoint
29
25
  results_df = endpoint.inference(df)
@@ -17,10 +17,7 @@ These classes provide high-level APIs for the Workbench package, they enable you
17
17
  ## Example ML Pipline
18
18
 
19
19
  ```py title="full_ml_pipeline.py"
20
- from workbench.api.data_source import DataSource
21
- from workbench.api.feature_set import FeatureSet
22
- from workbench.api.model import Model, ModelType
23
- from workbench.api.endpoint import Endpoint
20
+ from workbench.api import DataSource, FeatureSet, Model, ModelType, Endpoint
24
21
 
25
22
  # Create the abalone_data DataSource
26
23
  ds = DataSource("s3://workbench-public-data/common/abalone.csv")
@@ -46,9 +43,7 @@ model.to_endpoint(name="abalone-regression-end", tags=["abalone", "regression"])
46
43
  endpoint = Endpoint("abalone-regression-end")
47
44
 
48
45
  # Run inference on the Endpoint
49
- athena_table = fs.view("training").table
50
- df = fs.query(f"SELECT * FROM {athena_table} where training = FALSE")
51
- results = endpoint.predict(df)
46
+ results = endpoint.auto_inference()
52
47
  print(results[["class_number_of_rings", "prediction"]])
53
48
  ```
54
49
 
@@ -49,10 +49,10 @@ from workbench.api.feature_set import FeatureSet
49
49
 
50
50
  # Grab a FeatureSet View
51
51
  fs = FeatureSet("abalone_features")
52
- t_view = fs.view("training")
52
+ d_view = fs.view("display")
53
53
 
54
54
  # Make some queries using the Athena backend
55
- df = t_view(f"select * from {t_view.table} where height > .3")
55
+ df = d_view(f"select * from {d_view.table} where height > .3")
56
56
  print(df.head())
57
57
 
58
58
  df = t_view.query("select * from abalone_features where class_number_of_rings < 3")
@@ -57,10 +57,10 @@ from workbench.api.feature_set import FeatureSet
57
57
 
58
58
  # Grab a FeatureSet View
59
59
  fs = FeatureSet("abalone_features")
60
- t_view = fs.view("training")
60
+ d_view = fs.view("display")
61
61
 
62
62
  # Make some queries using the Athena backend
63
- df = t_view(f"select * from {t_view.table} where height > .3")
63
+ df = t_view(f"select * from {d_view.table} where height > .3")
64
64
  print(df.head())
65
65
 
66
66
  df = t_view.query("select * from abalone_features where class_number_of_rings < 3")
@@ -1,16 +1,12 @@
1
- from workbench.api.feature_set import FeatureSet
2
- from workbench.api.model import Model
3
- from workbench.api.endpoint import Endpoint
1
+ from workbench.api import Endpoint
2
+ from workbench.utils.endpoint_utils import get_evaluation_data
4
3
 
5
4
  # Grab an existing Endpoint
6
5
  endpoint = Endpoint("abalone-regression")
7
6
 
8
7
  # Workbench has full ML Pipeline provenance, so we can backtrack the inputs,
9
8
  # get a DataFrame of data (not used for training) and run inference
10
- model = Model(endpoint.get_input())
11
- fs = FeatureSet(model.get_input())
12
- athena_table = fs.view("training").table
13
- df = fs.query(f"SELECT * FROM {athena_table} where training = FALSE")
9
+ df = get_evaluation_data(endpoint)
14
10
 
15
11
  # Run inference/predictions on the Endpoint
16
12
  results_df = endpoint.inference(df)
@@ -44,7 +44,5 @@ if __name__ == "__main__":
44
44
  endpoint = Endpoint("abalone-regression")
45
45
 
46
46
  # Run inference on the Endpoint
47
- athena_table = fs.view("training").table
48
- df = fs.query(f"SELECT * FROM {athena_table} where training = FALSE")
49
- results = endpoint.inference(df)
47
+ results = endpoint.auto_inference()
50
48
  print(results[["class_number_of_rings", "prediction"]])
@@ -427,12 +427,12 @@ if __name__ == "__main__":
427
427
  target: label_names,
428
428
  "precision": scores[0],
429
429
  "recall": scores[1],
430
- "fscore": scores[2],
430
+ "f1": scores[2],
431
431
  "support": scores[3],
432
432
  }
433
433
  )
434
434
  # We need to get creative with the Classification Metrics
435
- metrics = ["precision", "recall", "fscore", "support"]
435
+ metrics = ["precision", "recall", "f1", "support"]
436
436
  for t in label_names:
437
437
  for m in metrics:
438
438
  value = score_df.loc[score_df[target] == t, m].iloc[0]
@@ -526,13 +526,13 @@ if __name__ == "__main__":
526
526
  target: label_names,
527
527
  "precision": scores[0],
528
528
  "recall": scores[1],
529
- "fscore": scores[2],
529
+ "f1": scores[2],
530
530
  "support": scores[3],
531
531
  }
532
532
  )
533
533
 
534
534
  # We need to get creative with the Classification Metrics
535
- metrics = ["precision", "recall", "fscore", "support"]
535
+ metrics = ["precision", "recall", "f1", "support"]
536
536
  for t in label_names:
537
537
  for m in metrics:
538
538
  value = score_df.loc[score_df[target] == t, m].iloc[0]
@@ -0,0 +1,50 @@
1
+ import os
2
+ from pprint import pprint
3
+ from workbench.api.feature_set import FeatureSet
4
+ from workbench.api.model import Model, ModelType
5
+
6
+ hyperparameters = {
7
+ "n_estimators": 200, # Number of trees
8
+ "max_depth": 6, # Maximum tree depth
9
+ "learning_rate": 0.05, # Boosting learning rate
10
+ "subsample": 0.7, # Row sampling ratio
11
+ "colsample_bytree": 0.3, # Feature sampling per tree
12
+ "colsample_bylevel": 0.5, # Feature sampling per level
13
+ "min_child_weight": 5, # Minimum samples in leaf
14
+ "gamma": 0.2, # Minimum loss reduction for split
15
+ "reg_alpha": 0.5, # L1 regularization
16
+ "reg_lambda": 2.0, # L2 regularization
17
+ "scale_pos_weight": 1, # Class weight balance
18
+ }
19
+
20
+ # Grab a FeatureSet
21
+ my_features = FeatureSet("aqsol_features")
22
+
23
+ # Grab our AQSol Regression Model
24
+ model = Model("aqsol-regression")
25
+
26
+ # Get Feature and Target Columns from the existing given Model
27
+ features = model.features()
28
+ target = model.target()
29
+
30
+ # Create the UQ Model from our FeatureSet
31
+ fs = FeatureSet(model.get_input())
32
+ my_model = fs.to_model(
33
+ name="aqsol-uq-hyper",
34
+ model_type=ModelType.UQ_REGRESSOR,
35
+ feature_list=features,
36
+ target_column=target,
37
+ description="Mapie + XGB Model",
38
+ tags=["aqsol", "mapie", "regression"],
39
+ hyperparameters=hyperparameters,
40
+ )
41
+ # Print the details of the created model
42
+ pprint(my_model.details())
43
+ my_model = Model("aqsol-uq-hyper")
44
+
45
+ # Deploy an Endpoint for the Model
46
+ endpoint = my_model.to_endpoint()
47
+
48
+ # Run auto-inference on the Endpoint
49
+ endpoint.auto_inference(capture=True)
50
+ endpoint.cross_fold_inference()
@@ -0,0 +1,9 @@
1
+ fastapi==0.121.0 # FastAPI for serving the model
2
+ uvicorn==0.34.0 # ASGI server for running FastAPI
3
+ scikit-learn==1.7.2
4
+ xgboost==3.1.1
5
+ lightgbm==4.6.0
6
+ ngboost==0.5.6
7
+ pandas==2.3.3
8
+ awswrangler==3.14.0
9
+ joblib==1.5.2
@@ -29,10 +29,10 @@ COPY --from=builder /usr/local/lib/python3.12/site-packages /usr/local/lib/pytho
29
29
  COPY --from=builder /usr/local/bin /usr/local/bin
30
30
 
31
31
  # Install workbench only
32
- RUN pip install --no-cache-dir workbench==0.8.167
32
+ RUN pip install --no-cache-dir workbench==0.8.196
33
33
 
34
34
  # Add the script runner
35
35
  COPY ml_pipeline_runner.py /app/ml_pipeline_runner.py
36
36
  WORKDIR /app
37
37
 
38
- ENTRYPOINT ["python", "/app/ml_pipeline_runner.py"]
38
+ ENTRYPOINT ["python", "/app/ml_pipeline_runner.py"]
@@ -0,0 +1,16 @@
1
+ # This file is used to install the required packages for the ML Pipeline Docker image.
2
+ --index-url https://download.pytorch.org/whl/cpu
3
+ --extra-index-url https://pypi.org/simple/
4
+ pandas==2.3.3
5
+ awswrangler==3.14.0
6
+ torch==2.9.1
7
+ pytorch-tabular==1.1.1
8
+ requests==2.32.5
9
+ joblib==1.5.2
10
+ boto3==1.40.72
11
+ botocore==1.40.72
12
+ redis==7.0.1
13
+ scikit-learn==1.7.2
14
+ xgboost==3.1.1
15
+ rdkit==2025.9.1
16
+ mordredcommunity==2.0.6
@@ -244,13 +244,13 @@ if __name__ == "__main__":
244
244
  target: label_names,
245
245
  "precision": scores[0],
246
246
  "recall": scores[1],
247
- "fscore": scores[2],
247
+ "f1": scores[2],
248
248
  "support": scores[3],
249
249
  }
250
250
  )
251
251
 
252
252
  # We need to get creative with the Classification Metrics
253
- metrics = ["precision", "recall", "fscore", "support"]
253
+ metrics = ["precision", "recall", "f1", "support"]
254
254
  for t in label_names:
255
255
  for m in metrics:
256
256
  value = score_df.loc[score_df[target] == t, m].iloc[0]
@@ -0,0 +1,7 @@
1
+ scikit-learn==1.7.2
2
+ xgboost==3.1.1
3
+ lightgbm==4.6.0
4
+ ngboost==0.5.6
5
+ pandas==2.3.3
6
+ awswrangler==3.14.0
7
+ joblib==1.5.2
@@ -63,8 +63,8 @@
63
63
  "# Grab the evaluation data\n",
64
64
  "from workbench.api.feature_set import FeatureSet\n",
65
65
  "fs = FeatureSet(\"solubility_featurized_fs\")\n",
66
- "training_view = fs.view(\"training\").table\n",
67
- "eval_data = fs.query(f\"select * from {training_view} where training=0\")"
66
+ "table = model.training_view().table\n",
67
+ "eval_data = fs.query(f\"select * from {table} where training=0\")"
68
68
  ]
69
69
  },
70
70
  {
@@ -316,7 +316,7 @@
316
316
  "id": "a12b00ea",
317
317
  "metadata": {},
318
318
  "source": [
319
- "table = fs.view(\"training\").table\n",
319
+ "table = model.training_view().table\n",
320
320
  "test_df = fs.query(f\"select * from {table} where training=0\")\n",
321
321
  "test_df.head()"
322
322
  ],
@@ -11,7 +11,7 @@ name = "workbench"
11
11
  dynamic = ["version"]
12
12
  description = "Workbench: A Dashboard and Python API for creating and deploying AWS SageMaker Model Pipelines"
13
13
  readme = "README.md"
14
- license = "MIT"
14
+ license = {file = "LICENSE"}
15
15
  requires-python = ">=3.10"
16
16
  keywords = ["SageMaker", "Machine Learning", "AWS", "Python", "Utilities"]
17
17
  classifiers = [
@@ -19,6 +19,7 @@ classifiers = [
19
19
  "Programming Language :: Python :: 3.10",
20
20
  "Programming Language :: Python :: 3.11",
21
21
  "Programming Language :: Python :: 3.12",
22
+ "Programming Language :: Python :: 3.13",
22
23
  "Topic :: Scientific/Engineering",
23
24
  ]
24
25
  authors = [{ name = "SuperCowPowers LLC", email = "support@supercowpowers.com" }]
@@ -92,6 +93,7 @@ workbench_config = "workbench.scripts.show_config:main"
92
93
  glue_launcher = "workbench.scripts.glue_launcher:main"
93
94
  ml_pipeline_batch = "workbench.scripts.ml_pipeline_batch:main"
94
95
  ml_pipeline_sqs = "workbench.scripts.ml_pipeline_sqs:main"
96
+ lambda_launcher = "workbench.scripts.lambda_launcher:main"
95
97
 
96
98
  [tool.pytest.ini_options]
97
99
  addopts = "-v --cov-report term-missing"
@@ -0,0 +1,72 @@
1
+ #!/usr/bin/env python3
2
+ import boto3
3
+ import argparse
4
+ from collections import defaultdict
5
+
6
+ # Workbench Imports
7
+ from workbench.utils.config_manager import ConfigManager
8
+
9
+
10
+ def list_and_delete_data_capture(bucket, preview=True):
11
+ s3 = boto3.client("s3")
12
+ prefix = "endpoints/"
13
+
14
+ # Get all endpoint prefixes
15
+ paginator = s3.get_paginator("list_objects_v2")
16
+ endpoints = set()
17
+
18
+ for page in paginator.paginate(Bucket=bucket, Prefix=prefix, Delimiter="/"):
19
+ for common_prefix in page.get("CommonPrefixes", []):
20
+ endpoint_prefix = common_prefix["Prefix"]
21
+ if endpoint_prefix != prefix:
22
+ endpoints.add(endpoint_prefix)
23
+
24
+ # Count and optionally delete files per endpoint
25
+ counts = defaultdict(int)
26
+ to_delete = []
27
+
28
+ for endpoint_prefix in endpoints:
29
+ data_capture_prefix = f"{endpoint_prefix}data_capture/"
30
+
31
+ for page in paginator.paginate(Bucket=bucket, Prefix=data_capture_prefix):
32
+ for obj in page.get("Contents", []):
33
+ if obj["Key"].endswith(".jsonl"):
34
+ endpoint_name = endpoint_prefix.split("/")[-2]
35
+ counts[endpoint_name] += 1
36
+ to_delete.append(obj["Key"])
37
+
38
+ # Display results
39
+ if counts:
40
+ print(f"\n{'Endpoint':<50} {'Files'}")
41
+ print("-" * 60)
42
+ for endpoint, count in sorted(counts.items()):
43
+ print(f"{endpoint:<50} {count:>6}")
44
+ print("-" * 60)
45
+ print(f"{'TOTAL':<50} {sum(counts.values()):>6}\n")
46
+ else:
47
+ print("No .jsonl files found in data_capture directories")
48
+ return
49
+
50
+ # Delete if not preview mode
51
+ if not preview:
52
+ print("Deleting files...")
53
+ # Delete in batches of 1000
54
+ for i in range(0, len(to_delete), 1000):
55
+ batch = to_delete[i : i + 1000]
56
+ s3.delete_objects(Bucket=bucket, Delete={"Objects": [{"Key": k} for k in batch]})
57
+ print(f"Deleted {len(to_delete)} files")
58
+ else:
59
+ print("PREVIEW MODE - no files deleted")
60
+
61
+
62
+ if __name__ == "__main__":
63
+ parser = argparse.ArgumentParser(description="Remove data capture files from SageMaker endpoints")
64
+ parser.add_argument("--delete", action="store_true", help="Actually delete files (default is preview)")
65
+ args = parser.parse_args()
66
+
67
+ # Get the default S3 bucket from Workbench config
68
+ config = ConfigManager()
69
+ bucket = config.get_config("WORKBENCH_BUCKET")
70
+ print(f"Using S3 bucket: {bucket}")
71
+
72
+ list_and_delete_data_capture(bucket, preview=not args.delete)
@@ -0,0 +1,61 @@
1
+ import pandas as pd
2
+ import sagemaker
3
+ from sagemaker.feature_store.feature_group import FeatureGroup
4
+ import time
5
+ import multiprocessing
6
+ import multiprocess
7
+
8
+ # Toggle this flag to test spawn mode fix
9
+ USE_SPAWN_MODE = True # Set to True to fix the Tahoe hang issue
10
+
11
+ if __name__ == "__main__":
12
+ if USE_SPAWN_MODE:
13
+ print("Using SPAWN mode (fix for Tahoe)")
14
+ multiprocessing.set_start_method("spawn", force=True)
15
+ multiprocess.set_start_method("spawn", force=True)
16
+ else:
17
+ print("Using default fork mode (will hang on Tahoe)")
18
+
19
+ # Create fake data
20
+ data = pd.DataFrame(
21
+ {
22
+ "record_id": [f"id_{i}" for i in range(10)],
23
+ "feature_1": [float(i) for i in range(10)],
24
+ "feature_2": [float(i * 2) for i in range(10)],
25
+ "event_time": [time.time()] * 10,
26
+ }
27
+ )
28
+
29
+ # Setup SageMaker session
30
+ sagemaker_session = sagemaker.Session()
31
+
32
+ # Define feature group
33
+ feature_group_name = "temp_delete_me"
34
+ feature_group = FeatureGroup(name=feature_group_name, sagemaker_session=sagemaker_session)
35
+
36
+ # Create feature definitions
37
+ feature_group.load_feature_definitions(data_frame=data)
38
+
39
+ # Create feature group
40
+ print("Creating feature group...")
41
+ feature_group.create(
42
+ s3_uri=f"s3://{sagemaker_session.default_bucket()}/featurestore",
43
+ record_identifier_name="record_id",
44
+ event_time_feature_name="event_time",
45
+ role_arn=sagemaker.get_execution_role(),
46
+ enable_online_store=True,
47
+ )
48
+
49
+ # Wait for feature group to be created (can take 1-2 minutes)
50
+ print("Waiting for feature group to be ready...")
51
+ status = feature_group.describe().get("FeatureGroupStatus")
52
+ while status == "Creating":
53
+ print(f"Status: {status}... waiting 10 seconds")
54
+ time.sleep(10)
55
+ status = feature_group.describe().get("FeatureGroupStatus")
56
+ print(f"Feature group status: {status}")
57
+
58
+ # This will hang on macOS Tahoe with USE_SPAWN_MODE=False
59
+ print("Starting ingest...")
60
+ feature_group.ingest(data_frame=data, max_workers=2, max_processes=2, wait=True)
61
+ print("Ingest completed!")
@@ -0,0 +1,20 @@
1
+ import awswrangler as wr
2
+
3
+ # Workbench Imports
4
+ from workbench.core.transforms.pandas_transforms import PandasToFeatures
5
+
6
+ import multiprocessing
7
+ import multiprocess
8
+
9
+ if __name__ == "__main__":
10
+ multiprocessing.set_start_method("spawn", force=True)
11
+ multiprocess.set_start_method("spawn", force=True)
12
+
13
+ s3_path = "s3://workbench-public-data/comp_chem/aqsol_public_data.csv"
14
+ aqsol_data = wr.s3.read_csv(s3_path)
15
+ aqsol_data.columns = aqsol_data.columns.str.lower()
16
+
17
+ to_features = PandasToFeatures("temp_delete_me")
18
+ to_features.set_input(aqsol_data, id_column="id")
19
+ to_features.set_output_tags(["aqsol", "public"])
20
+ to_features.transform()
@@ -5,14 +5,13 @@ These classes provide functionality for Pandas Dataframes
5
5
  - TBD: TBD
6
6
  """
7
7
 
8
- from .proximity import Proximity, ProximityType
8
+ from .proximity import Proximity
9
9
  from .feature_space_proximity import FeatureSpaceProximity
10
10
  from .fingerprint_proximity import FingerprintProximity
11
11
  from .projection_2d import Projection2D
12
12
 
13
13
  __all__ = [
14
14
  "Proximity",
15
- "ProximityType",
16
15
  "FeatureSpaceProximity",
17
16
  "FingerprintProximity",
18
17
  "Projection2D",