workbench 0.8.242__tar.gz → 0.8.246__tar.gz

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 (816) hide show
  1. {workbench-0.8.242 → workbench-0.8.246}/PKG-INFO +1 -1
  2. {workbench-0.8.242 → workbench-0.8.246}/glue_jobs/glue_mixed_case.py +1 -1
  3. {workbench-0.8.242 → workbench-0.8.246}/model_docker_images/ml_pipelines/Dockerfile +1 -1
  4. {workbench-0.8.242 → workbench-0.8.246}/pyproject.toml +3 -0
  5. {workbench-0.8.242 → workbench-0.8.246}/scripts/admin/athena_ddl_mixed_case.py +1 -1
  6. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/api/feature_set.py +6 -7
  7. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/core/artifacts/feature_set_core.py +1 -1
  8. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/core/transforms/features_to_model/features_to_model.py +7 -4
  9. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/model_script_utils/pytorch_utils.py +5 -11
  10. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/model_scripts/chemprop/chemprop.template +5 -5
  11. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/model_scripts/pytorch_model/pytorch.template +1 -4
  12. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/model_scripts/pytorch_model/pytorch_utils.py +5 -11
  13. {workbench-0.8.242 → workbench-0.8.246}/src/workbench/model_scripts/script_generation.py +43 -25
  14. {workbench-0.8.242 → workbench-0.8.246}/src/workbench.egg-info/PKG-INFO +1 -1
  15. {workbench-0.8.242 → workbench-0.8.246}/src/workbench.egg-info/SOURCES.txt +0 -6
  16. workbench-0.8.242/src/workbench/model_scripts/chemprop/generated_model_script.py +0 -794
  17. workbench-0.8.242/src/workbench/model_scripts/meta_model/generated_model_script.py +0 -209
  18. workbench-0.8.242/src/workbench/model_scripts/pytorch_model/generated_model_script.py +0 -552
  19. workbench-0.8.242/src/workbench/model_scripts/scikit_learn/generated_model_script.py +0 -302
  20. workbench-0.8.242/src/workbench/model_scripts/uq_models/generated_model_script.py +0 -248
  21. workbench-0.8.242/src/workbench/model_scripts/xgb_model/generated_model_script.py +0 -458
  22. {workbench-0.8.242 → workbench-0.8.246}/.flake8 +0 -0
  23. {workbench-0.8.242 → workbench-0.8.246}/.github/PULL_REQUEST_TEMPLATE.md +0 -0
  24. {workbench-0.8.242 → workbench-0.8.246}/.github/dependabot.yml +0 -0
  25. {workbench-0.8.242 → workbench-0.8.246}/.github/workflows/deploy-docs.yml +0 -0
  26. {workbench-0.8.242 → workbench-0.8.246}/.github/workflows/python-lint.yml +0 -0
  27. {workbench-0.8.242 → workbench-0.8.246}/.gitignore +0 -0
  28. {workbench-0.8.242 → workbench-0.8.246}/CONTRIBUTING.md +0 -0
  29. {workbench-0.8.242 → workbench-0.8.246}/Dockerfile +0 -0
  30. {workbench-0.8.242 → workbench-0.8.246}/LICENSE +0 -0
  31. {workbench-0.8.242 → workbench-0.8.246}/Makefile +0 -0
  32. {workbench-0.8.242 → workbench-0.8.246}/README.md +0 -0
  33. {workbench-0.8.242 → workbench-0.8.246}/SECURITY.md +0 -0
  34. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/Dockerfile +0 -0
  35. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/README.md +0 -0
  36. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/app.py +0 -0
  37. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/assets/favicon.ico +0 -0
  38. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/dashboard +0 -0
  39. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/deploy.sh +0 -0
  40. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/open_source_config.json +0 -0
  41. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/data_sources/callbacks.py +0 -0
  42. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/data_sources/layout.py +0 -0
  43. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/data_sources/page.py +0 -0
  44. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/endpoints/callbacks.py +0 -0
  45. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/endpoints/layout.py +0 -0
  46. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/endpoints/page.py +0 -0
  47. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/feature_sets/callbacks.py +0 -0
  48. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/feature_sets/layout.py +0 -0
  49. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/feature_sets/page.py +0 -0
  50. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/license/page.py +0 -0
  51. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/main/callbacks.py +0 -0
  52. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/main/layout.py +0 -0
  53. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/main/page.py +0 -0
  54. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/models/callbacks.py +0 -0
  55. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/models/layout.py +0 -0
  56. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/models/page.py +0 -0
  57. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/pipelines/callbacks.py +0 -0
  58. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/pipelines/layout.py +0 -0
  59. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/pipelines/page.py +0 -0
  60. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/pages/status/page.py +0 -0
  61. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/static/dark.css +0 -0
  62. {workbench-0.8.242 → workbench-0.8.246}/applications/aws_dashboard/static/light.css +0 -0
  63. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/Dockerfile +0 -0
  64. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/README.md +0 -0
  65. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/app.py +0 -0
  66. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/assets/favicon.ico +0 -0
  67. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/callbacks.py +0 -0
  68. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/explorer +0 -0
  69. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/layout.py +0 -0
  70. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/nginx.conf +0 -0
  71. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/open_source_config.json +0 -0
  72. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/requirements.txt +0 -0
  73. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/storage/callbacks.py +0 -0
  74. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/storage/callbacks_new.py +0 -0
  75. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/storage/layout_new.py +0 -0
  76. {workbench-0.8.242 → workbench-0.8.246}/applications/compound_explorer/supervisord.conf +0 -0
  77. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/aws_account_setup.py +0 -0
  78. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/aws_identity_check.py +0 -0
  79. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/build_ml_pipeline.py +0 -0
  80. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/.gitignore +0 -0
  81. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/README.md +0 -0
  82. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/app.py +0 -0
  83. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/cdk.json +0 -0
  84. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/compound_explorer/__init__.py +0 -0
  85. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/compound_explorer/compound_explorer_stack.py +0 -0
  86. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/compound_explorer/requirements.txt +0 -0
  87. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/event_bridge/Readme.md +0 -0
  88. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/README.md +0 -0
  89. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/app.py +0 -0
  90. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/cdk.json +0 -0
  91. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/requirements.txt +0 -0
  92. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/workbench_compute/__init__.py +0 -0
  93. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/workbench_compute/lambdas/batch_failure/handler.py +0 -0
  94. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/workbench_compute/lambdas/batch_trigger/handler.py +0 -0
  95. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_compute/workbench_compute/workbench_compute_stack.py +0 -0
  96. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/.gitignore +0 -0
  97. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/README.md +0 -0
  98. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/app.py +0 -0
  99. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/cdk.json +0 -0
  100. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/requirements-dev.txt +0 -0
  101. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/requirements.txt +0 -0
  102. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/source.bat +0 -0
  103. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/workbench_core/__init__.py +0 -0
  104. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_core/workbench_core/workbench_core_stack.py +0 -0
  105. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/.gitignore +0 -0
  106. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/README.md +0 -0
  107. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/app.py +0 -0
  108. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/cdk.json +0 -0
  109. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/requirements-dev.txt +0 -0
  110. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/requirements.txt +0 -0
  111. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/source.bat +0 -0
  112. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/workbench_dashboard_full/__init__.py +0 -0
  113. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_full/workbench_dashboard_full/workbench_dashboard_stack.py +0 -0
  114. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/.gitignore +0 -0
  115. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/README.md +0 -0
  116. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/app.py +0 -0
  117. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/cdk.json +0 -0
  118. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/requirements.txt +0 -0
  119. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/workbench_dashboard_lite/__init__.py +0 -0
  120. {workbench-0.8.242 → workbench-0.8.246}/aws_setup/workbench_dashboard_lite/workbench_dashboard_lite/workbench_dashboard_stack.py +0 -0
  121. {workbench-0.8.242 → workbench-0.8.246}/data/abalone.csv +0 -0
  122. {workbench-0.8.242 → workbench-0.8.246}/data/karate_graph.json +0 -0
  123. {workbench-0.8.242 → workbench-0.8.246}/data/test_data.csv +0 -0
  124. {workbench-0.8.242 → workbench-0.8.246}/data/test_data.json +0 -0
  125. {workbench-0.8.242 → workbench-0.8.246}/data/wine_dataset.csv +0 -0
  126. {workbench-0.8.242 → workbench-0.8.246}/deploy_docker.sh +0 -0
  127. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/aws_service_limits.md +0 -0
  128. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/base_docker_push.md +0 -0
  129. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/dashboard_docker_push.md +0 -0
  130. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/dashboard_s3_plugins.md +0 -0
  131. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/explorer_docker_push.md +0 -0
  132. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/images/dashboard_secret_click.png +0 -0
  133. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/images/serverless_quotas.png +0 -0
  134. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/images/status_showing_S3_path.png +0 -0
  135. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/pypi_release.md +0 -0
  136. {workbench-0.8.242 → workbench-0.8.246}/docs/admin/workbench_docker_for_lambdas.md +0 -0
  137. {workbench-0.8.242 → workbench-0.8.246}/docs/advanced_models/images/confidence.jpg +0 -0
  138. {workbench-0.8.242 → workbench-0.8.246}/docs/advanced_models/index.md +0 -0
  139. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/data_source.md +0 -0
  140. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/df_store.md +0 -0
  141. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/endpoint.md +0 -0
  142. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/feature_set.md +0 -0
  143. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/meta.md +0 -0
  144. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/model.md +0 -0
  145. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/monitor.md +0 -0
  146. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/overview.md +0 -0
  147. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/parameter_store.md +0 -0
  148. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/pipelines.md +0 -0
  149. {workbench-0.8.242 → workbench-0.8.246}/docs/api_classes/views.md +0 -0
  150. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/aws_access_management.md +0 -0
  151. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/aws_client_vpn.md +0 -0
  152. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/aws_setup.md +0 -0
  153. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/aws_tips_and_tricks.md +0 -0
  154. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/core_stack.md +0 -0
  155. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/dashboard_stack.md +0 -0
  156. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/domain_cert_setup.md +0 -0
  157. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/full_pipeline.md +0 -0
  158. {workbench-0.8.242 → workbench-0.8.246}/docs/aws_setup/iam_assume_role.md +0 -0
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  178. {workbench-0.8.242 → workbench-0.8.246}/docs/chem_utils/index.md +0 -0
  179. {workbench-0.8.242 → workbench-0.8.246}/docs/cloudwatch/index.md +0 -0
  180. {workbench-0.8.242 → workbench-0.8.246}/docs/comparisons/workbench_vs_databricks.md +0 -0
  181. {workbench-0.8.242 → workbench-0.8.246}/docs/compound_explorer/tox21.md +0 -0
  182. {workbench-0.8.242 → workbench-0.8.246}/docs/compound_explorer/toxicity_modeling.md +0 -0
  183. {workbench-0.8.242 → workbench-0.8.246}/docs/confidence/index.md +0 -0
  184. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/artifact.md +0 -0
  185. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/athena_source.md +0 -0
  186. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/data_source_abstract.md +0 -0
  187. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/endpoint_core.md +0 -0
  188. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/feature_set_core.md +0 -0
  189. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/model_core.md +0 -0
  190. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/monitor_core.md +0 -0
  191. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/artifacts/overview.md +0 -0
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  193. {workbench-0.8.242 → workbench-0.8.246}/docs/core_classes/transforms/data_loaders_heavy.md +0 -0
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  762. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_meta_endpoints.py +0 -0
  763. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_pipeline_model.py +0 -0
  764. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_proximity_models.py +0 -0
  765. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_quant_regression_artifacts.py +0 -0
  766. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_realtime_endpoint.py +0 -0
  767. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_training_adjusted_artifacts.py +0 -0
  768. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/create_wine_artifacts.py +0 -0
  769. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/delete_stress_test_artifacts.py +0 -0
  770. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/delete_test_artifacts.py +0 -0
  771. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/hyper_testing.py +0 -0
  772. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/regression_ensemble.py +0 -0
  773. {workbench-0.8.242 → workbench-0.8.246}/test_artifacts/stress_test_aws.py +0 -0
  774. {workbench-0.8.242 → workbench-0.8.246}/tests/README.md +0 -0
  775. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/data_source_tests.py +0 -0
  776. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/empty_model_group.py +0 -0
  777. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/endpoint_tests.py +0 -0
  778. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/featureset_ingest_boundaries.py +0 -0
  779. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/featureset_tests.py +0 -0
  780. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/graph_tests.py +0 -0
  781. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/model_metrics_tests.py +0 -0
  782. {workbench-0.8.242 → workbench-0.8.246}/tests/artifacts/model_tests.py +0 -0
  783. {workbench-0.8.242 → workbench-0.8.246}/tests/aws_account/aws_account_clamp_tests.py +0 -0
  784. {workbench-0.8.242 → workbench-0.8.246}/tests/cached/cached_artifact_tests.py +0 -0
  785. {workbench-0.8.242 → workbench-0.8.246}/tests/chem_info/test_tautomerization.py +0 -0
  786. {workbench-0.8.242 → workbench-0.8.246}/tests/corner_cases/end_to_end.py +0 -0
  787. {workbench-0.8.242 → workbench-0.8.246}/tests/df_store/df_store_tests.py +0 -0
  788. {workbench-0.8.242 → workbench-0.8.246}/tests/lambda/decompress_layers.py +0 -0
  789. {workbench-0.8.242 → workbench-0.8.246}/tests/pandas_tests/test_drift.py +0 -0
  790. {workbench-0.8.242 → workbench-0.8.246}/tests/parameter_store/param_store_tests.py +0 -0
  791. {workbench-0.8.242 → workbench-0.8.246}/tests/plugin_tests/crashing_plugin.py +0 -0
  792. {workbench-0.8.242 → workbench-0.8.246}/tests/pytorch/pytorch_hello.py +0 -0
  793. {workbench-0.8.242 → workbench-0.8.246}/tests/requirements-dev.txt +0 -0
  794. {workbench-0.8.242 → workbench-0.8.246}/tests/specific/capital_tests.py +0 -0
  795. {workbench-0.8.242 → workbench-0.8.246}/tests/specific/column_changes.py +0 -0
  796. {workbench-0.8.242 → workbench-0.8.246}/tests/specific/config_manager.py +0 -0
  797. {workbench-0.8.242 → workbench-0.8.246}/tests/specific/deletion_tests.py +0 -0
  798. {workbench-0.8.242 → workbench-0.8.246}/tests/specific/shap_tests.py +0 -0
  799. {workbench-0.8.242 → workbench-0.8.246}/tests/transforms/data_to_data_tests.py +0 -0
  800. {workbench-0.8.242 → workbench-0.8.246}/tests/transforms/data_to_features_tests.py +0 -0
  801. {workbench-0.8.242 → workbench-0.8.246}/tests/transforms/features_to_model_tests.py +0 -0
  802. {workbench-0.8.242 → workbench-0.8.246}/tests/transforms/model_to_endpoint_tests.py +0 -0
  803. {workbench-0.8.242 → workbench-0.8.246}/tests/transforms/pandas_to_data_tests.py +0 -0
  804. {workbench-0.8.242 → workbench-0.8.246}/tests/transforms/pandas_to_features_test.py +0 -0
  805. {workbench-0.8.242 → workbench-0.8.246}/tests/views/view_tests.py +0 -0
  806. {workbench-0.8.242 → workbench-0.8.246}/tests/views/view_tests_complex.py +0 -0
  807. {workbench-0.8.242 → workbench-0.8.246}/tests/web_components/confusion_matrix_test.py +0 -0
  808. {workbench-0.8.242 → workbench-0.8.246}/tests/web_components/correlation_matrix_test.py +0 -0
  809. {workbench-0.8.242 → workbench-0.8.246}/tests/web_components/graph_plot_test.py +0 -0
  810. {workbench-0.8.242 → workbench-0.8.246}/tests/web_components/plugin_interface_test.py +0 -0
  811. {workbench-0.8.242 → workbench-0.8.246}/tests/web_components/scatter_plot_test.py +0 -0
  812. {workbench-0.8.242 → workbench-0.8.246}/tox.ini +0 -0
  813. {workbench-0.8.242 → workbench-0.8.246}/ui_testing/assets/custom.css +0 -0
  814. {workbench-0.8.242 → workbench-0.8.246}/ui_testing/table_comparison.py +0 -0
  815. {workbench-0.8.242 → workbench-0.8.246}/ui_testing/theme_switching.py +0 -0
  816. {workbench-0.8.242 → workbench-0.8.246}/ui_testing/theme_switching_2.py +0 -0
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: workbench
3
- Version: 0.8.242
3
+ Version: 0.8.246
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
6
  License: MIT License
@@ -28,7 +28,7 @@ glue_client.create_table(
28
28
  "Name": table_name,
29
29
  "StorageDescriptor": {
30
30
  "Columns": [{"Name": name, "Type": dtype} for name, dtype in original_column_dict.items()],
31
- "Location": "s3://test-bucket/test_table/",
31
+ "Location": "s3://workbench-public-test-bucket/test_table/",
32
32
  "InputFormat": "org.apache.hadoop.hive.ql.io.parquet.MapredParquetInputFormat",
33
33
  "OutputFormat": "org.apache.hadoop.hive.ql.io.parquet.MapredParquetOutputFormat",
34
34
  "SerdeInfo": {"SerializationLibrary": "org.apache.hadoop.hive.ql.io.parquet.serde.ParquetHiveSerDe"},
@@ -29,7 +29,7 @@ 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==0.8.241
32
+ RUN pip install --no-cache-dir workbench==0.8.245
33
33
 
34
34
  # Add the script runner
35
35
  COPY ml_pipeline_runner.py /app/ml_pipeline_runner.py
@@ -78,6 +78,9 @@ packages = { find = { where = ["src"] } }
78
78
  "themes/**"
79
79
  ]
80
80
 
81
+ [tool.setuptools.exclude-package-data]
82
+ "workbench" = ["model_scripts/**/generated_*.py"]
83
+
81
84
  [project.scripts]
82
85
  workbench = "workbench.repl.workbench_shell:launch_shell"
83
86
  cloud_watch = "workbench.scripts.monitor_cloud_watch:main"
@@ -22,7 +22,7 @@ athena_client = boto3_session.client("athena")
22
22
  # Define the database, table name, and S3 path
23
23
  database_name = "workbench"
24
24
  table_name = "test_table"
25
- s3_path = "s3://test-bucket/test/"
25
+ s3_path = "s3://workbench-public-test-bucket/test/"
26
26
 
27
27
  # Define the original column names with mixed case
28
28
  original_column_dict = {"Id": "int", "Name": "string", "Age": "int"}
@@ -85,9 +85,6 @@ class FeatureSet(FeatureSetCore):
85
85
  model_import_str: str = None,
86
86
  custom_script: Union[str, Path] = None,
87
87
  custom_args: dict = None,
88
- training_image: str = "training",
89
- inference_image: str = "inference",
90
- inference_arch: str = "x86_64",
91
88
  **kwargs,
92
89
  ) -> Union[Model, None]:
93
90
  """Create a Model from the FeatureSet
@@ -104,9 +101,6 @@ class FeatureSet(FeatureSetCore):
104
101
  model_class (str, optional): Model class to use (e.g. "KMeans", default: None)
105
102
  model_import_str (str, optional): The import for the model (e.g. "from sklearn.cluster import KMeans")
106
103
  custom_script (str, optional): The custom script to use for the model (default: None)
107
- training_image (str, optional): The training image to use (default: "training")
108
- inference_image (str, optional): The inference image to use (default: "inference")
109
- inference_arch (str, optional): The architecture to use for inference (default: "x86_64")
110
104
  kwargs (dict, optional): Additional keyword arguments to pass to the model
111
105
 
112
106
  Returns:
@@ -127,10 +121,15 @@ class FeatureSet(FeatureSetCore):
127
121
  # Create the Model Tags
128
122
  tags = [name] if tags is None else tags
129
123
 
130
- # If the model framework is PyTorch or ChemProp, ensure we set the training and inference images
124
+ # Set training/inference images based on model framework
131
125
  if model_framework in (ModelFramework.PYTORCH, ModelFramework.CHEMPROP):
132
126
  training_image = "pytorch_training"
133
127
  inference_image = "pytorch_inference"
128
+ inference_arch = "x86_64"
129
+ else:
130
+ training_image = "training"
131
+ inference_image = "inference"
132
+ inference_arch = "x86_64"
134
133
 
135
134
  # Transform the FeatureSet into a Model
136
135
  features_to_model = FeaturesToModel(
@@ -320,7 +320,7 @@ class FeatureSetCore(Artifact):
320
320
  """
321
321
 
322
322
  # Set up the S3 Query results path
323
- date_time = datetime.now(timezone.utc).strftime("%Y-%m-%d_%H:%M:%S")
323
+ date_time = datetime.now(timezone.utc).strftime("%Y-%m-%d_%H-%M-%S")
324
324
  s3_output_path = self.feature_sets_s3_path + f"/{self.name}/datasets/all_{date_time}"
325
325
 
326
326
  # Make the query
@@ -247,10 +247,13 @@ class FeaturesToModel(Transform):
247
247
  # Create a Sagemaker Model with our script
248
248
  image = ModelImages.get_image_uri(self.sm_session.boto_region_name, self.training_image)
249
249
 
250
- # Use compute-optimized CPU instance for ChemProp/PyTorch (CPU-bound due to data loading)
251
- if self.model_framework in [ModelFramework.CHEMPROP, ModelFramework.PYTORCH]:
252
- train_instance_type = "ml.c7i.2xlarge" # 8 vCPUs, 16GB RAM, ~$0.40/hr
253
- self.log.important(f"Using compute instance {train_instance_type} for {self.model_framework.value}")
250
+ # Use user-specified instance or default based on framework
251
+ train_instance_type = kwargs.get("training_instance")
252
+ if train_instance_type:
253
+ self.log.important(f"Using user-specified instance {train_instance_type}")
254
+ elif self.model_framework in [ModelFramework.CHEMPROP, ModelFramework.PYTORCH]:
255
+ train_instance_type = "ml.g6.2xlarge" # NVIDIA L4 GPU + 8 vCPUs for data loading
256
+ self.log.important(f"Using GPU instance {train_instance_type} for {self.model_framework.value}")
254
257
  else:
255
258
  train_instance_type = "ml.m5.xlarge"
256
259
 
@@ -80,7 +80,6 @@ class TabularMLP(nn.Module):
80
80
  n_outputs: Number of output units
81
81
  task: "regression" or "classification"
82
82
  dropout: Dropout rate
83
- use_batch_norm: Whether to use batch normalization
84
83
  """
85
84
 
86
85
  def __init__(
@@ -92,7 +91,6 @@ class TabularMLP(nn.Module):
92
91
  n_outputs: int,
93
92
  task: str = "regression",
94
93
  dropout: float = 0.1,
95
- use_batch_norm: bool = True,
96
94
  ):
97
95
  super().__init__()
98
96
  self.task = task
@@ -112,8 +110,7 @@ class TabularMLP(nn.Module):
112
110
  layers = []
113
111
  for hidden_dim in hidden_layers:
114
112
  layers.append(nn.Linear(input_dim, hidden_dim))
115
- if use_batch_norm:
116
- layers.append(nn.BatchNorm1d(hidden_dim))
113
+ layers.append(nn.LayerNorm(hidden_dim))
117
114
  layers.append(nn.LeakyReLU())
118
115
  layers.append(nn.Dropout(dropout))
119
116
  input_dim = hidden_dim
@@ -216,7 +213,6 @@ def create_model(
216
213
  n_outputs: int,
217
214
  task: str = "regression",
218
215
  dropout: float = 0.1,
219
- use_batch_norm: bool = True,
220
216
  ) -> TabularMLP:
221
217
  """Create a TabularMLP model with appropriate embedding dimensions."""
222
218
  embedding_dims = compute_embedding_dims(categorical_cardinalities)
@@ -228,7 +224,6 @@ def create_model(
228
224
  n_outputs=n_outputs,
229
225
  task=task,
230
226
  dropout=dropout,
231
- use_batch_norm=use_batch_norm,
232
227
  )
233
228
 
234
229
 
@@ -266,8 +261,8 @@ def train_model(
266
261
  train_dataset = TensorDataset(train_x_cont, dummy_cat, train_y)
267
262
  val_dataset = TensorDataset(val_x_cont, dummy_val_cat, val_y)
268
263
 
269
- train_loader = DataLoader(train_dataset, batch_size=batch_size, shuffle=True)
270
- val_loader = DataLoader(val_dataset, batch_size=batch_size, shuffle=False)
264
+ train_loader = DataLoader(train_dataset, batch_size=batch_size, shuffle=True, pin_memory=True)
265
+ val_loader = DataLoader(val_dataset, batch_size=batch_size, shuffle=False, pin_memory=True)
271
266
 
272
267
  # Loss and optimizer
273
268
  if task == "classification":
@@ -304,7 +299,7 @@ def train_model(
304
299
  out = model(x_cont, x_cat)
305
300
 
306
301
  if task == "classification":
307
- loss = criterion(out, y.squeeze().long())
302
+ loss = criterion(out, y.view(-1).long())
308
303
  else:
309
304
  loss = criterion(out, y)
310
305
 
@@ -323,7 +318,7 @@ def train_model(
323
318
  out = model(x_cont, x_cat)
324
319
 
325
320
  if task == "classification":
326
- loss = criterion(out, y.squeeze().long())
321
+ loss = criterion(out, y.view(-1).long())
327
322
  else:
328
323
  loss = criterion(out, y)
329
324
  val_losses.append(loss.item())
@@ -395,7 +390,6 @@ def load_model(path: str, device: str = "cpu") -> TabularMLP:
395
390
  n_outputs=config["n_outputs"],
396
391
  task=config["task"],
397
392
  dropout=config.get("dropout", 0.1),
398
- use_batch_norm=config.get("use_batch_norm", True),
399
393
  )
400
394
 
401
395
  state_dict = torch.load(os.path.join(path, "model.pt"), map_location=device, weights_only=True)
@@ -591,8 +591,8 @@ if __name__ == "__main__":
591
591
  output_transform = nn.UnscaleTransform.from_standard_scaler(target_scaler)
592
592
 
593
593
  num_workers = min(os.cpu_count() or 4, 8) # Scale with CPUs, cap at 8
594
- train_loader = data.build_dataloader(train_dataset, batch_size=batch_size, shuffle=True, num_workers=num_workers, persistent_workers=num_workers > 0)
595
- val_loader = data.build_dataloader(val_dataset, batch_size=batch_size, shuffle=False, num_workers=num_workers, persistent_workers=num_workers > 0)
594
+ train_loader = data.build_dataloader(train_dataset, batch_size=batch_size, shuffle=True, num_workers=num_workers, persistent_workers=num_workers > 0, pin_memory=True, prefetch_factor=2)
595
+ val_loader = data.build_dataloader(val_dataset, batch_size=batch_size, shuffle=False, num_workers=num_workers, persistent_workers=num_workers > 0, pin_memory=True, prefetch_factor=2)
596
596
 
597
597
  # Build model
598
598
  pl.seed_everything(hyperparameters["seed"] + fold_idx)
@@ -618,7 +618,7 @@ if __name__ == "__main__":
618
618
  callbacks.append(pl.callbacks.ModelCheckpoint(
619
619
  dirpath=args.model_dir, filename=f"best_{fold_idx}", monitor="val_loss", mode="min", save_top_k=1
620
620
  ))
621
- return pl.Trainer(accelerator="auto", max_epochs=max_epochs, logger=False, enable_progress_bar=True, callbacks=callbacks)
621
+ return pl.Trainer(accelerator="auto", max_epochs=max_epochs, precision="16-mixed", logger=False, enable_progress_bar=True, callbacks=callbacks)
622
622
 
623
623
  if use_two_phase:
624
624
  # Phase 1: Freeze MPNN, train FFN only
@@ -646,7 +646,7 @@ if __name__ == "__main__":
646
646
 
647
647
  # Out-of-fold predictions (using unscaled features - model's x_d_transform handles scaling)
648
648
  val_dps_raw, _ = _create_molecule_datapoints(df_val[smiles_column].tolist(), val_targets, val_extra_raw)
649
- val_loader_pred = data.build_dataloader(data.MoleculeDataset(val_dps_raw), batch_size=batch_size, shuffle=False)
649
+ val_loader_pred = data.build_dataloader(data.MoleculeDataset(val_dps_raw), batch_size=batch_size, shuffle=False, num_workers=num_workers, pin_memory=True)
650
650
 
651
651
  with torch.inference_mode():
652
652
  fold_preds = np.concatenate([p.numpy() for p in trainer.predict(mpnn, val_loader_pred)], axis=0)
@@ -707,7 +707,7 @@ if __name__ == "__main__":
707
707
  if len(ensemble_models) > 1:
708
708
  print("Computing prediction_std from ensemble...")
709
709
  val_dps, _ = _create_molecule_datapoints(df_val[smiles_column].tolist(), y_validate, val_extra_features)
710
- val_loader = data.build_dataloader(data.MoleculeDataset(val_dps), batch_size=batch_size, shuffle=False)
710
+ val_loader = data.build_dataloader(data.MoleculeDataset(val_dps), batch_size=batch_size, shuffle=False, num_workers=num_workers, pin_memory=True)
711
711
  trainer_pred = pl.Trainer(accelerator="auto", logger=False, enable_progress_bar=False)
712
712
 
713
713
  all_ens_preds = []
@@ -45,12 +45,11 @@ DEFAULT_HYPERPARAMETERS = {
45
45
  "n_folds": 5,
46
46
  "max_epochs": 200,
47
47
  "early_stopping_patience": 30,
48
- "batch_size": 128,
48
+ "batch_size": 64,
49
49
  # Model architecture (larger capacity - ensemble provides regularization)
50
50
  "layers": "512-256-128",
51
51
  "learning_rate": 1e-3,
52
52
  "dropout": 0.05,
53
- "use_batch_norm": True,
54
53
  # Loss function for regression (L1Loss=MAE, MSELoss=MSE, HuberLoss, SmoothL1Loss)
55
54
  "loss": "L1Loss",
56
55
  # Split strategy: "random", "scaffold", or "butina"
@@ -410,7 +409,6 @@ if __name__ == "__main__":
410
409
  n_outputs=n_outputs,
411
410
  task=task,
412
411
  dropout=hyperparameters["dropout"],
413
- use_batch_norm=hyperparameters["use_batch_norm"],
414
412
  )
415
413
 
416
414
  # Train
@@ -517,7 +515,6 @@ if __name__ == "__main__":
517
515
  "n_outputs": n_outputs,
518
516
  "task": task,
519
517
  "dropout": hyperparameters["dropout"],
520
- "use_batch_norm": hyperparameters["use_batch_norm"],
521
518
  }
522
519
 
523
520
  for idx, m in enumerate(ensemble_models):
@@ -80,7 +80,6 @@ class TabularMLP(nn.Module):
80
80
  n_outputs: Number of output units
81
81
  task: "regression" or "classification"
82
82
  dropout: Dropout rate
83
- use_batch_norm: Whether to use batch normalization
84
83
  """
85
84
 
86
85
  def __init__(
@@ -92,7 +91,6 @@ class TabularMLP(nn.Module):
92
91
  n_outputs: int,
93
92
  task: str = "regression",
94
93
  dropout: float = 0.1,
95
- use_batch_norm: bool = True,
96
94
  ):
97
95
  super().__init__()
98
96
  self.task = task
@@ -112,8 +110,7 @@ class TabularMLP(nn.Module):
112
110
  layers = []
113
111
  for hidden_dim in hidden_layers:
114
112
  layers.append(nn.Linear(input_dim, hidden_dim))
115
- if use_batch_norm:
116
- layers.append(nn.BatchNorm1d(hidden_dim))
113
+ layers.append(nn.LayerNorm(hidden_dim))
117
114
  layers.append(nn.LeakyReLU())
118
115
  layers.append(nn.Dropout(dropout))
119
116
  input_dim = hidden_dim
@@ -216,7 +213,6 @@ def create_model(
216
213
  n_outputs: int,
217
214
  task: str = "regression",
218
215
  dropout: float = 0.1,
219
- use_batch_norm: bool = True,
220
216
  ) -> TabularMLP:
221
217
  """Create a TabularMLP model with appropriate embedding dimensions."""
222
218
  embedding_dims = compute_embedding_dims(categorical_cardinalities)
@@ -228,7 +224,6 @@ def create_model(
228
224
  n_outputs=n_outputs,
229
225
  task=task,
230
226
  dropout=dropout,
231
- use_batch_norm=use_batch_norm,
232
227
  )
233
228
 
234
229
 
@@ -266,8 +261,8 @@ def train_model(
266
261
  train_dataset = TensorDataset(train_x_cont, dummy_cat, train_y)
267
262
  val_dataset = TensorDataset(val_x_cont, dummy_val_cat, val_y)
268
263
 
269
- train_loader = DataLoader(train_dataset, batch_size=batch_size, shuffle=True)
270
- val_loader = DataLoader(val_dataset, batch_size=batch_size, shuffle=False)
264
+ train_loader = DataLoader(train_dataset, batch_size=batch_size, shuffle=True, pin_memory=True)
265
+ val_loader = DataLoader(val_dataset, batch_size=batch_size, shuffle=False, pin_memory=True)
271
266
 
272
267
  # Loss and optimizer
273
268
  if task == "classification":
@@ -304,7 +299,7 @@ def train_model(
304
299
  out = model(x_cont, x_cat)
305
300
 
306
301
  if task == "classification":
307
- loss = criterion(out, y.squeeze().long())
302
+ loss = criterion(out, y.view(-1).long())
308
303
  else:
309
304
  loss = criterion(out, y)
310
305
 
@@ -323,7 +318,7 @@ def train_model(
323
318
  out = model(x_cont, x_cat)
324
319
 
325
320
  if task == "classification":
326
- loss = criterion(out, y.squeeze().long())
321
+ loss = criterion(out, y.view(-1).long())
327
322
  else:
328
323
  loss = criterion(out, y)
329
324
  val_losses.append(loss.item())
@@ -395,7 +390,6 @@ def load_model(path: str, device: str = "cpu") -> TabularMLP:
395
390
  n_outputs=config["n_outputs"],
396
391
  task=config["task"],
397
392
  dropout=config.get("dropout", 0.1),
398
- use_batch_norm=config.get("use_batch_norm", True),
399
393
  )
400
394
 
401
395
  state_dict = torch.load(os.path.join(path, "model.pt"), map_location=device, weights_only=True)
@@ -3,6 +3,7 @@
3
3
  import os
4
4
  import shutil
5
5
  import logging
6
+ import tempfile
6
7
  from pathlib import Path
7
8
  import importlib.util
8
9
 
@@ -41,7 +42,7 @@ def copy_imports_to_script_dir(script_path: str, imports: list[str]) -> None:
41
42
  print(f"Copied {source_path} to {destination_path}")
42
43
 
43
44
 
44
- def fill_template(template_path: str, params: dict, output_script: str) -> str:
45
+ def fill_template(template_path: str, params: dict, output_script: str, output_dir: str = None) -> str:
45
46
  """
46
47
  Fill in the placeholders in the template with the values provided in params,
47
48
  ensuring that the correct Python data types are used.
@@ -49,6 +50,7 @@ def fill_template(template_path: str, params: dict, output_script: str) -> str:
49
50
  template_path (str): The path to the template file.
50
51
  params (dict): A dictionary with placeholder keys and their corresponding values.
51
52
  output_script (str): The name of the generated model script.
53
+ output_dir (str): The directory to write the output script to (default: same as template).
52
54
  Returns:
53
55
  str: The path to the generated model script.
54
56
  """
@@ -77,8 +79,10 @@ def fill_template(template_path: str, params: dict, output_script: str) -> str:
77
79
  log.critical(msg)
78
80
  raise ValueError(msg)
79
81
 
80
- # Write out the generated model script and return the name
81
- output_path = os.path.join(os.path.dirname(template_path), output_script)
82
+ # Write out the generated model script to output_dir (or template dir if not specified)
83
+ if output_dir is None:
84
+ output_dir = os.path.dirname(template_path)
85
+ output_path = os.path.join(output_dir, output_script)
82
86
  with open(output_path, "w") as fp:
83
87
  fp.write(template)
84
88
  return output_path
@@ -102,29 +106,29 @@ def generate_model_script(template_params: dict) -> str:
102
106
  - child_endpoints (list[str], optional): For META models, list of child endpoint names
103
107
 
104
108
  Returns:
105
- str: The name of the generated model script
109
+ str: The path to the generated model script
106
110
  """
107
111
  from workbench.api import ModelType, ModelFramework # Avoid circular import
108
112
 
109
113
  # Determine which template to use based on model type
110
114
  if template_params.get("model_class"):
111
115
  template_name = "scikit_learn.template"
112
- model_script_dir = "scikit_learn"
116
+ model_script_dir_name = "scikit_learn"
113
117
  elif template_params["model_framework"] == ModelFramework.PYTORCH:
114
118
  template_name = "pytorch.template"
115
- model_script_dir = "pytorch_model"
119
+ model_script_dir_name = "pytorch_model"
116
120
  elif template_params["model_framework"] == ModelFramework.CHEMPROP:
117
121
  template_name = "chemprop.template"
118
- model_script_dir = "chemprop"
122
+ model_script_dir_name = "chemprop"
119
123
  elif template_params["model_framework"] == ModelFramework.META:
120
124
  template_name = "meta_model.template"
121
- model_script_dir = "meta_model"
125
+ model_script_dir_name = "meta_model"
122
126
  elif template_params["model_type"] in [ModelType.REGRESSOR, ModelType.UQ_REGRESSOR, ModelType.CLASSIFIER]:
123
127
  template_name = "xgb_model.template"
124
- model_script_dir = "xgb_model"
128
+ model_script_dir_name = "xgb_model"
125
129
  elif template_params["model_type"] == ModelType.ENSEMBLE_REGRESSOR:
126
130
  template_name = "ensemble_xgb.template"
127
- model_script_dir = "ensemble_xgb"
131
+ model_script_dir_name = "ensemble_xgb"
128
132
  else:
129
133
  msg = f"ModelType: {template_params['model_type']} needs to set custom_script argument"
130
134
  log.critical(msg)
@@ -133,31 +137,42 @@ def generate_model_script(template_params: dict) -> str:
133
137
  # Model Type is an enumerated type, so we need to convert it to a string
134
138
  template_params["model_type"] = template_params["model_type"].value
135
139
 
136
- # Load the template
137
- dir_path = Path(__file__).parent.absolute()
138
- model_script_dir = os.path.join(dir_path, model_script_dir)
139
- template_path = os.path.join(model_script_dir, template_name)
140
+ # Load the template from the package directory
141
+ package_dir = Path(__file__).parent.absolute()
142
+ source_script_dir = os.path.join(package_dir, model_script_dir_name)
143
+ template_path = os.path.join(source_script_dir, template_name)
140
144
 
141
- # Fill in the template and write out the generated model script
142
- output_path = fill_template(template_path, template_params, "generated_model_script.py")
145
+ # Create a temp directory for the generated script and supporting files
146
+ # Note: This directory will be cleaned up by SageMaker after the training job
147
+ output_dir = tempfile.mkdtemp(prefix=f"workbench_{model_script_dir_name}_")
148
+ log.info(f"Generating model script in temp directory: {output_dir}")
143
149
 
144
- # Report on any additional files in the model script directory
145
- for file in os.listdir(model_script_dir):
146
- if file not in ["generated_model_script.py", "requirements.txt"] and not file.endswith(".template"):
147
- log.info(f"Additional file {file} found in model_script_dir...")
150
+ # Copy all supporting files (except templates and generated scripts) to the temp directory
151
+ for file in os.listdir(source_script_dir):
152
+ if file.endswith(".template") or file.startswith("generated_"):
153
+ continue
154
+ source_file = os.path.join(source_script_dir, file)
155
+ if os.path.isfile(source_file):
156
+ shutil.copy(source_file, output_dir)
157
+ log.info(f"Copied supporting file: {file}")
158
+
159
+ # Fill in the template and write the generated script to the temp directory
160
+ output_path = fill_template(template_path, template_params, "generated_model_script.py", output_dir)
148
161
 
149
162
  return output_path
150
163
 
151
164
 
152
165
  if __name__ == "__main__":
153
166
  """Exercise the Model Script Utilities"""
154
- from workbench.api import ModelType
167
+ from workbench.api import ModelType, ModelFramework
155
168
 
156
169
  copy_imports_to_script_dir("/tmp/model.py", ["workbench.utils.chem_utils"])
157
170
 
158
171
  # Define the parameters for the model script (Classifier)
159
172
  my_params = {
160
173
  "model_type": ModelType.CLASSIFIER,
174
+ "model_framework": ModelFramework.XGBOOST,
175
+ "id_column": "id",
161
176
  "target_column": "wine_class",
162
177
  "feature_list": [
163
178
  "alcohol",
@@ -174,15 +189,18 @@ if __name__ == "__main__":
174
189
  "od280_od315_of_diluted_wines",
175
190
  "proline",
176
191
  ],
177
- "model_metrics_s3_path": "s3://sandbox-workbench-artifacts/models/training/wine-classifier",
192
+ "model_metrics_s3_path": "s3://workbench-public-test-bucket/models/training/wine-classifier",
178
193
  "train_all_data": True,
194
+ "compressed_features": [],
195
+ "hyperparameters": {},
179
196
  }
180
197
  my_model_script = generate_model_script(my_params)
181
- print(my_model_script)
198
+ print(f"Generated script: {my_model_script}")
182
199
 
183
200
  # Define the parameters for the model script (KMeans Clustering)
184
201
  my_params = {
185
202
  "model_type": ModelType.CLUSTERER,
203
+ "model_framework": ModelFramework.SKLEARN,
186
204
  "model_class": "KMeans",
187
205
  "model_imports": "from sklearn.cluster import KMeans",
188
206
  "target_column": None,
@@ -201,8 +219,8 @@ if __name__ == "__main__":
201
219
  "od280_od315_of_diluted_wines",
202
220
  "proline",
203
221
  ],
204
- "model_metrics_s3_path": "s3://sandbox-workbench-artifacts/models/training/wine-clusters",
222
+ "model_metrics_s3_path": "s3://workbench-public-test-bucket/models/training/wine-clusters",
205
223
  "train_all_data": True,
206
224
  }
207
225
  my_model_script = generate_model_script(my_params)
208
- print(my_model_script)
226
+ print(f"Generated script: {my_model_script}")
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: workbench
3
- Version: 0.8.242
3
+ Version: 0.8.246
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
6
  License: MIT License
@@ -576,7 +576,6 @@ src/workbench/model_script_utils/pytorch_utils.py
576
576
  src/workbench/model_script_utils/uq_harness.py
577
577
  src/workbench/model_scripts/script_generation.py
578
578
  src/workbench/model_scripts/chemprop/chemprop.template
579
- src/workbench/model_scripts/chemprop/generated_model_script.py
580
579
  src/workbench/model_scripts/chemprop/model_script_utils.py
581
580
  src/workbench/model_scripts/chemprop/requirements.txt
582
581
  src/workbench/model_scripts/custom_models/chem_info/Readme.md
@@ -602,19 +601,14 @@ src/workbench/model_scripts/custom_script_example/custom_model_script.py
602
601
  src/workbench/model_scripts/custom_script_example/requirements.txt
603
602
  src/workbench/model_scripts/ensemble_xgb/ensemble_xgb.template
604
603
  src/workbench/model_scripts/ensemble_xgb/requirements.txt
605
- src/workbench/model_scripts/meta_model/generated_model_script.py
606
604
  src/workbench/model_scripts/meta_model/meta_model.template
607
- src/workbench/model_scripts/pytorch_model/generated_model_script.py
608
605
  src/workbench/model_scripts/pytorch_model/model_script_utils.py
609
606
  src/workbench/model_scripts/pytorch_model/pytorch.template
610
607
  src/workbench/model_scripts/pytorch_model/pytorch_utils.py
611
608
  src/workbench/model_scripts/pytorch_model/requirements.txt
612
609
  src/workbench/model_scripts/pytorch_model/uq_harness.py
613
- src/workbench/model_scripts/scikit_learn/generated_model_script.py
614
610
  src/workbench/model_scripts/scikit_learn/requirements.txt
615
611
  src/workbench/model_scripts/scikit_learn/scikit_learn.template
616
- src/workbench/model_scripts/uq_models/generated_model_script.py
617
- src/workbench/model_scripts/xgb_model/generated_model_script.py
618
612
  src/workbench/model_scripts/xgb_model/model_script_utils.py
619
613
  src/workbench/model_scripts/xgb_model/requirements.txt
620
614
  src/workbench/model_scripts/xgb_model/uq_harness.py