workbench 0.8.162__py3-none-any.whl → 0.8.220__py3-none-any.whl

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Files changed (147) hide show
  1. workbench/algorithms/dataframe/__init__.py +1 -2
  2. workbench/algorithms/dataframe/compound_dataset_overlap.py +321 -0
  3. workbench/algorithms/dataframe/feature_space_proximity.py +168 -75
  4. workbench/algorithms/dataframe/fingerprint_proximity.py +422 -86
  5. workbench/algorithms/dataframe/projection_2d.py +44 -21
  6. workbench/algorithms/dataframe/proximity.py +259 -305
  7. workbench/algorithms/graph/light/proximity_graph.py +14 -12
  8. workbench/algorithms/models/cleanlab_model.py +382 -0
  9. workbench/algorithms/models/noise_model.py +388 -0
  10. workbench/algorithms/sql/outliers.py +3 -3
  11. workbench/api/__init__.py +5 -1
  12. workbench/api/compound.py +1 -1
  13. workbench/api/df_store.py +17 -108
  14. workbench/api/endpoint.py +18 -5
  15. workbench/api/feature_set.py +121 -15
  16. workbench/api/meta.py +5 -2
  17. workbench/api/meta_model.py +289 -0
  18. workbench/api/model.py +55 -21
  19. workbench/api/monitor.py +1 -16
  20. workbench/api/parameter_store.py +3 -52
  21. workbench/cached/cached_model.py +4 -4
  22. workbench/core/artifacts/__init__.py +11 -2
  23. workbench/core/artifacts/artifact.py +16 -8
  24. workbench/core/artifacts/data_capture_core.py +355 -0
  25. workbench/core/artifacts/df_store_core.py +114 -0
  26. workbench/core/artifacts/endpoint_core.py +382 -253
  27. workbench/core/artifacts/feature_set_core.py +249 -45
  28. workbench/core/artifacts/model_core.py +135 -80
  29. workbench/core/artifacts/monitor_core.py +33 -248
  30. workbench/core/artifacts/parameter_store_core.py +98 -0
  31. workbench/core/cloud_platform/aws/aws_account_clamp.py +50 -1
  32. workbench/core/cloud_platform/aws/aws_meta.py +12 -5
  33. workbench/core/cloud_platform/aws/aws_session.py +4 -4
  34. workbench/core/pipelines/pipeline_executor.py +1 -1
  35. workbench/core/transforms/data_to_features/light/molecular_descriptors.py +4 -4
  36. workbench/core/transforms/features_to_model/features_to_model.py +62 -40
  37. workbench/core/transforms/model_to_endpoint/model_to_endpoint.py +76 -15
  38. workbench/core/transforms/pandas_transforms/pandas_to_features.py +38 -2
  39. workbench/core/views/training_view.py +113 -42
  40. workbench/core/views/view.py +53 -3
  41. workbench/core/views/view_utils.py +4 -4
  42. workbench/model_script_utils/model_script_utils.py +339 -0
  43. workbench/model_script_utils/pytorch_utils.py +405 -0
  44. workbench/model_script_utils/uq_harness.py +278 -0
  45. workbench/model_scripts/chemprop/chemprop.template +649 -0
  46. workbench/model_scripts/chemprop/generated_model_script.py +649 -0
  47. workbench/model_scripts/chemprop/model_script_utils.py +339 -0
  48. workbench/model_scripts/chemprop/requirements.txt +3 -0
  49. workbench/model_scripts/custom_models/chem_info/fingerprints.py +175 -0
  50. workbench/model_scripts/custom_models/chem_info/mol_descriptors.py +483 -0
  51. workbench/model_scripts/custom_models/chem_info/mol_standardize.py +450 -0
  52. workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py +7 -9
  53. workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py +1 -1
  54. workbench/model_scripts/custom_models/proximity/feature_space_proximity.py +194 -0
  55. workbench/model_scripts/custom_models/proximity/feature_space_proximity.template +8 -10
  56. workbench/model_scripts/custom_models/uq_models/bayesian_ridge.template +7 -8
  57. workbench/model_scripts/custom_models/uq_models/ensemble_xgb.template +20 -21
  58. workbench/model_scripts/custom_models/uq_models/feature_space_proximity.py +194 -0
  59. workbench/model_scripts/custom_models/uq_models/gaussian_process.template +5 -11
  60. workbench/model_scripts/custom_models/uq_models/ngboost.template +30 -18
  61. workbench/model_scripts/custom_models/uq_models/requirements.txt +1 -3
  62. workbench/model_scripts/ensemble_xgb/ensemble_xgb.template +15 -17
  63. workbench/model_scripts/meta_model/generated_model_script.py +209 -0
  64. workbench/model_scripts/meta_model/meta_model.template +209 -0
  65. workbench/model_scripts/pytorch_model/generated_model_script.py +444 -500
  66. workbench/model_scripts/pytorch_model/model_script_utils.py +339 -0
  67. workbench/model_scripts/pytorch_model/pytorch.template +440 -496
  68. workbench/model_scripts/pytorch_model/pytorch_utils.py +405 -0
  69. workbench/model_scripts/pytorch_model/requirements.txt +1 -1
  70. workbench/model_scripts/pytorch_model/uq_harness.py +278 -0
  71. workbench/model_scripts/scikit_learn/generated_model_script.py +7 -12
  72. workbench/model_scripts/scikit_learn/scikit_learn.template +4 -9
  73. workbench/model_scripts/script_generation.py +20 -11
  74. workbench/model_scripts/uq_models/generated_model_script.py +248 -0
  75. workbench/model_scripts/xgb_model/generated_model_script.py +372 -404
  76. workbench/model_scripts/xgb_model/model_script_utils.py +339 -0
  77. workbench/model_scripts/xgb_model/uq_harness.py +278 -0
  78. workbench/model_scripts/xgb_model/xgb_model.template +369 -401
  79. workbench/repl/workbench_shell.py +28 -19
  80. workbench/resources/open_source_api.key +1 -1
  81. workbench/scripts/endpoint_test.py +162 -0
  82. workbench/scripts/lambda_test.py +73 -0
  83. workbench/scripts/meta_model_sim.py +35 -0
  84. workbench/scripts/ml_pipeline_batch.py +137 -0
  85. workbench/scripts/ml_pipeline_sqs.py +186 -0
  86. workbench/scripts/monitor_cloud_watch.py +20 -100
  87. workbench/scripts/training_test.py +85 -0
  88. workbench/utils/aws_utils.py +4 -3
  89. workbench/utils/chem_utils/__init__.py +0 -0
  90. workbench/utils/chem_utils/fingerprints.py +175 -0
  91. workbench/utils/chem_utils/misc.py +194 -0
  92. workbench/utils/chem_utils/mol_descriptors.py +483 -0
  93. workbench/utils/chem_utils/mol_standardize.py +450 -0
  94. workbench/utils/chem_utils/mol_tagging.py +348 -0
  95. workbench/utils/chem_utils/projections.py +219 -0
  96. workbench/utils/chem_utils/salts.py +256 -0
  97. workbench/utils/chem_utils/sdf.py +292 -0
  98. workbench/utils/chem_utils/toxicity.py +250 -0
  99. workbench/utils/chem_utils/vis.py +253 -0
  100. workbench/utils/chemprop_utils.py +141 -0
  101. workbench/utils/cloudwatch_handler.py +1 -1
  102. workbench/utils/cloudwatch_utils.py +137 -0
  103. workbench/utils/config_manager.py +3 -7
  104. workbench/utils/endpoint_utils.py +5 -7
  105. workbench/utils/license_manager.py +2 -6
  106. workbench/utils/meta_model_simulator.py +499 -0
  107. workbench/utils/metrics_utils.py +256 -0
  108. workbench/utils/model_utils.py +278 -79
  109. workbench/utils/monitor_utils.py +44 -62
  110. workbench/utils/pandas_utils.py +3 -3
  111. workbench/utils/pytorch_utils.py +87 -0
  112. workbench/utils/shap_utils.py +11 -57
  113. workbench/utils/workbench_logging.py +0 -3
  114. workbench/utils/workbench_sqs.py +1 -1
  115. workbench/utils/xgboost_local_crossfold.py +267 -0
  116. workbench/utils/xgboost_model_utils.py +127 -219
  117. workbench/web_interface/components/model_plot.py +14 -2
  118. workbench/web_interface/components/plugin_unit_test.py +5 -2
  119. workbench/web_interface/components/plugins/dashboard_status.py +3 -1
  120. workbench/web_interface/components/plugins/generated_compounds.py +1 -1
  121. workbench/web_interface/components/plugins/model_details.py +38 -74
  122. workbench/web_interface/components/plugins/scatter_plot.py +6 -10
  123. {workbench-0.8.162.dist-info → workbench-0.8.220.dist-info}/METADATA +31 -9
  124. {workbench-0.8.162.dist-info → workbench-0.8.220.dist-info}/RECORD +128 -96
  125. workbench-0.8.220.dist-info/entry_points.txt +11 -0
  126. {workbench-0.8.162.dist-info → workbench-0.8.220.dist-info}/licenses/LICENSE +1 -1
  127. workbench/core/cloud_platform/aws/aws_df_store.py +0 -404
  128. workbench/core/cloud_platform/aws/aws_parameter_store.py +0 -280
  129. workbench/model_scripts/custom_models/chem_info/local_utils.py +0 -769
  130. workbench/model_scripts/custom_models/chem_info/tautomerize.py +0 -83
  131. workbench/model_scripts/custom_models/meta_endpoints/example.py +0 -53
  132. workbench/model_scripts/custom_models/proximity/generated_model_script.py +0 -138
  133. workbench/model_scripts/custom_models/proximity/proximity.py +0 -384
  134. workbench/model_scripts/custom_models/uq_models/generated_model_script.py +0 -393
  135. workbench/model_scripts/custom_models/uq_models/mapie_xgb.template +0 -203
  136. workbench/model_scripts/custom_models/uq_models/meta_uq.template +0 -273
  137. workbench/model_scripts/custom_models/uq_models/proximity.py +0 -384
  138. workbench/model_scripts/ensemble_xgb/generated_model_script.py +0 -279
  139. workbench/model_scripts/quant_regression/quant_regression.template +0 -279
  140. workbench/model_scripts/quant_regression/requirements.txt +0 -1
  141. workbench/utils/chem_utils.py +0 -1556
  142. workbench/utils/execution_environment.py +0 -211
  143. workbench/utils/fast_inference.py +0 -167
  144. workbench/utils/resource_utils.py +0 -39
  145. workbench-0.8.162.dist-info/entry_points.txt +0 -5
  146. {workbench-0.8.162.dist-info → workbench-0.8.220.dist-info}/WHEEL +0 -0
  147. {workbench-0.8.162.dist-info → workbench-0.8.220.dist-info}/top_level.txt +0 -0
@@ -1,12 +1,13 @@
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  workbench/__init__.py,sha256=Kbp7lpicM-LH4ODhViZyas4uuvlDUzZQW8Dioks19Dc,1241
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  workbench/algorithms/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  workbench/algorithms/dataframe/Readme.md,sha256=ZoCEi2BRJ4ZH0wlkFELTV_njIvYt7Wnhanuv4eoFluw,378
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- workbench/algorithms/dataframe/__init__.py,sha256=n5dRcEXK6URKXeWoCf8XhMWxDalUdEWAK6YYBQfe8NY,455
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+ workbench/algorithms/dataframe/__init__.py,sha256=AXpwD4WYOk7odNS9vaKSO0DM-bMRuC93faq0JAltQ54,419
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+ workbench/algorithms/dataframe/compound_dataset_overlap.py,sha256=rE3UvPnDDUAQXcZOHde2W4HdVixak4BVTM6ftolL4-Y,12694
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  workbench/algorithms/dataframe/data_source_eda.py,sha256=WgVL6tzBCw1tznQr8RQ6daQnTxQ0-DQUiMwbjztVMSU,1606
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- workbench/algorithms/dataframe/feature_space_proximity.py,sha256=6RxzvbpLdDkHMm1D49Nv59SFcyYUj8bisd6_5EpBEGI,3515
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- workbench/algorithms/dataframe/fingerprint_proximity.py,sha256=zqvk2WfY_nRFGC5bYcBbooGfSZsAhZBS8HNQ0GSMpwg,5838
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- workbench/algorithms/dataframe/projection_2d.py,sha256=zK4hc0OQrySmfcfFg8y0GxEL34uDNqvZL4OgttB9vRs,7834
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- workbench/algorithms/dataframe/proximity.py,sha256=zqmNlX70LnWXr5fdtFFQppSNTLjlOciQVrjGr-g9jRE,13716
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+ workbench/algorithms/dataframe/feature_space_proximity.py,sha256=FYsQd5Lf5CrSWi-1Dcs_NVFN86izifxkWk1-EOvEV54,6950
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+ workbench/algorithms/dataframe/fingerprint_proximity.py,sha256=EJhbiio99-6ZyymswFD69pmLQa2UECclvt2-mWfp3-M,20174
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+ workbench/algorithms/dataframe/projection_2d.py,sha256=UgdAWYXFxCdMGZpWSbRSPbjZAGjaumP7va1FyUnwiIA,9114
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+ workbench/algorithms/dataframe/proximity.py,sha256=Qbgs9uhfQTceXWXf-fc26aYMPsQrZLOHuFUm8KqQHmc,13387
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@@ -17,59 +18,63 @@ workbench/algorithms/graph/__init__.py,sha256=Hi2vBi-qw2OPLZnCu5qVTDdorRMOd3wNIt
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  workbench/algorithms/graph/light/Readme.md,sha256=8kP_hRrRC6JtKtl5qyTwrV6gdO5rz6uq54c8WW1fTLg,122
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- workbench/algorithms/graph/light/proximity_graph.py,sha256=2mb1BLMdKX1NZbhNX3OGcpYED2RHJlTh4l7nd_0jAXE,9584
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+ workbench/algorithms/graph/light/proximity_graph.py,sha256=X-4MCvMPiwYy0nP8ztKeF3z05fB6vA-alu58uUBp7Rk,9688
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+ workbench/algorithms/models/cleanlab_model.py,sha256=jBPuEv6hDp0nQc0aHPgbNtlXRzFzaqOU8RKTK7Go8ys,14027
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+ workbench/algorithms/models/noise_model.py,sha256=WVCKjda_-p0ovj-Ze6eKmKREO-3rJlmBiCMSldeWYf0,14384
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  workbench/algorithms/spark/Readme.md,sha256=18bPoFISlT3Ls5t1cBGb5N5Z6lOWyJupQkQxab1wcO4,615
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- workbench/algorithms/sql/outliers.py,sha256=2hoilOk0gaz9pwrnGEBY2y7M-UqFED3KO_mFm_0_3ac,10645
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+ workbench/algorithms/sql/outliers.py,sha256=LbOYaE3bNR4x-aEIrA2KAX3Aq07ZowRgrW9buCeKisQ,10663
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- workbench/api/__init__.py,sha256=kvrP70ypDOMdPGj_Eeftdh8J0lu_1qQVne6GXMkD4_E,1027
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- workbench/api/compound.py,sha256=BHd3Qu4Ra45FEuwiowhFfGMI_HKRRB10XMmoS6ljKrM,2541
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+ workbench/api/__init__.py,sha256=1JAQKD82biia4h07BRA9ytjxuJUYQqgHvkf8FwpnlVQ,1195
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+ workbench/api/compound.py,sha256=kf5EaM5qjWwsZutcxqj9IC_MPnDV1uVHDMns9OA_GOo,2545
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- workbench/api/df_store.py,sha256=Wybb3zO-jPpAi2Ns8Ks1-lagvXAaBlRpBZHhnnl3Lms,6131
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- workbench/api/endpoint.py,sha256=ejDnfBBgNYMZB-bOA5nX7C6CtBlAjmtrF8M_zpri9Io,3451
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- workbench/api/feature_set.py,sha256=wzNxNjN0K2FaIC7QUIogMnoHqw2vo0iAHYlGk6fWLCw,6649
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+ workbench/api/df_store.py,sha256=1qSYM3Xb4MwMMTMaF3CX0hOCEzhIbnra5Deivg4cryk,3014
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+ workbench/api/endpoint.py,sha256=tvPINPv_EFwphuZ3tv09jwO6dee-DRH371ZzXrrUxfM,3897
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+ workbench/api/feature_set.py,sha256=-21ztp7JDqs7CKF3KtNdPoXppkiDqfb4JVK8xBK9rIY,10966
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- workbench/api/meta.py,sha256=fCOtZMfAHWaerzcsTeFnimXfgV8STe9JDiB7QBogktc,8456
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- workbench/api/model.py,sha256=2hPN8UK4whZ0kDgPtbR7lEknw7XhH5hGYaHA55jmZWQ,4529
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- workbench/api/monitor.py,sha256=kQHSFiVLRWnHekSdatMKR3QbRj1BBNrVXpZgvV83LPM,5027
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- workbench/api/parameter_store.py,sha256=7BObkuATuP6C5AG_46kCWsmuCwuh1vgMJDBSN0gTkwM,4294
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+ workbench/api/meta.py,sha256=1_9989cPvf3hd3tA-83hLijOGNnhwXAF8aZF45adeDQ,8596
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+ workbench/api/meta_model.py,sha256=2DpjjBSw60QPMWQ2sTu2492PrFWFMXK8hH9U13gXzi8,11226
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+ workbench/api/model.py,sha256=uU2sO7qm1wqdVhl7WVzzg79p1Z26Kf5inMhYzgmhzDw,5523
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+ workbench/api/monitor.py,sha256=Cez89Uac7Tzt47FxkjoX-YDGccEhvBcxw3sZFtw4ud8,4506
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+ workbench/api/parameter_store.py,sha256=_3MmPxKiVy7_OIgCSRlUv9xbk8nuiOWiCtZgT-AxN1k,2574
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- workbench/cached/cached_model.py,sha256=iMc_fySUE5qau3feduVXMNb24JY0sBjt1g6WeLLciXc,4348
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+ workbench/cached/cached_model.py,sha256=c2DosGbGLPnlBrjt67uXoMrAVOVS8tsljUTyflpOHac,4340
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- workbench/core/artifacts/__init__.py,sha256=ps7rA_rbWnDbvWbg4kvu--IKMY8WmbPRyv4Si0xub1Q,965
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- workbench/core/artifacts/artifact.py,sha256=mF1lqQ8EP43zMRSxqPYuWoHRwQTjyWdpW9LewU7utEE,17517
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+ workbench/core/artifacts/__init__.py,sha256=ukcgbYlI9m99bzwaBNO01K1h0-cQkzsbh_jT_GyQ-LY,1034
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+ workbench/core/artifacts/artifact.py,sha256=scWUbX2Sk1rxT8VEm_Z7YTxbOzkDASNyqqXB56xLZ2w,17721
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+ workbench/core/artifacts/data_capture_core.py,sha256=q8f79rRTYiZ7T4IQRWXl8ZvPpcvZyNxYERwvo8o0OQc,14858
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- workbench/core/pipelines/pipeline_executor.py,sha256=_4vQ2wEmx-vXnDymphGo8EvWh4iRO7XeuweJ8wgjHvY,6890
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- workbench/core/transforms/data_to_features/light/molecular_descriptors.py,sha256=lxbK8EO4GdBs56mNNjf6GuE9ciNcVUolqcmlVT-0HsE,2460
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+ workbench/core/transforms/data_to_features/light/molecular_descriptors.py,sha256=dOAJsei8-JYoPMzhKQjQVHex7Vx_KexQGQXOQSezq7w,2436
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- workbench/core/transforms/pandas_transforms/pandas_to_features.py,sha256=XiUz2BqOX4N34g6hvFvcLswhkEouyU0AjyIy9EGv2zg,20440
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+ workbench/core/transforms/pandas_transforms/pandas_to_features.py,sha256=AqXS4ZND7lg94enclRP9wGBrYm4AmhL3c--q0o-6_JM,21972
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+ workbench/core/views/training_view.py,sha256=7HwhbQhDBhT3Zo_gssS-b4eueJ0h9nqqT8YGFSuaEcU,9016
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+ workbench/model_scripts/chemprop/chemprop.template,sha256=EF1otxEJGPKm_iZibbWBUvjWhQY0G8jnPK8d_A7OnS8,29416
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+ workbench/model_scripts/chemprop/requirements.txt,sha256=2IBHZZNYqhX9Ed7AmRVgN06tO3EHeBbN2EM8-tjWZhs,216
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- workbench/model_scripts/custom_models/chem_info/local_utils.py,sha256=Rsz_VRoA3O3-VoitmN8o5OymstsF433QgdSRHc-iZ24,29071
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- workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py,sha256=E8SK4oOHaYnYx4ycQJ6R7yg799kjtbipM3KEc8SPArQ,3011
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- workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py,sha256=tMyMmeN1xajVWkqkV5mobYB8CYkzW9FRH8Vi3t81uo8,3231
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+ workbench/model_scripts/custom_models/chem_info/fingerprints.py,sha256=ECDzjZs4wSx3ZvAQipMl2NEqI2isCWHLYBv7mp0NVgk,6939
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+ workbench/model_scripts/custom_models/chem_info/mol_descriptors.py,sha256=c8gkHZ-8s3HJaW9zN9pnYGK7YVW8Y0xFqQ1G_ysrF2Y,18789
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+ workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py,sha256=xljMjdfh4Idi4v1Afq1zZxvF1SDa7pDOLSAhvGBEj88,2891
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- workbench/model_scripts/custom_models/proximity/feature_space_proximity.template,sha256=2c3eDu4sLP_bCTBAf_aIR1QdC7CpYDpXo8UU_2ZoLuE,4833
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- workbench/model_scripts/custom_models/proximity/generated_model_script.py,sha256=RdbKbXtrSNYQJvB-oLcRHpJ6w0TM7zbmMfuocHb7GM0,7967
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- workbench/model_scripts/custom_models/proximity/proximity.py,sha256=zqmNlX70LnWXr5fdtFFQppSNTLjlOciQVrjGr-g9jRE,13716
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- workbench/model_scripts/custom_models/uq_models/bayesian_ridge.template,sha256=U4LIlpp8Rbu3apyzPR7-55lvlutpTsCro_PUvQ5pklY,6457
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- workbench/model_scripts/custom_models/uq_models/ensemble_xgb.template,sha256=0IJnSBACQ556ldEiPqR7yPCOOLJs1hQhHmPBvB2d9tY,13491
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- workbench/model_scripts/custom_models/uq_models/gaussian_process.template,sha256=QbDUfkiPCwJ-c-4Twgu4utZuYZaAyeW_3T1IP-_tutw,6683
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- workbench/model_scripts/custom_models/uq_models/mapie_xgb.template,sha256=ZTmerwkmXtewJwx3GGJSdLRyzJV5SJ86PvCu3dV_GHw,7330
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- workbench/model_scripts/custom_models/uq_models/meta_uq.template,sha256=26FNangcpyV9nFOIufRuVZ45BQv6oPf9xlJZkVIULG4,9287
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- workbench/model_scripts/ensemble_xgb/generated_model_script.py,sha256=dsjUGm22xI1ThGn97HPKtooyEPK-HOQnf5chnZ7-MXk,10675
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- workbench/utils/xgboost_model_utils.py,sha256=AEBSyIXYFk6vI3u89w7J4VdI1dgNJOgQe6XZv4pUhOM,15501
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+ workbench/utils/chem_utils/mol_standardize.py,sha256=qPLCdVMSXMOWN-01O1isg2zq7eQyFAI0SNatHkRq1uw,17524
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+ workbench/utils/chem_utils/mol_tagging.py,sha256=8Bt6gHvyN8B2jvVuz12JgYMHVLDkCLnEPAfqkyMEoMc,9995
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+ workbench/utils/chem_utils/vis.py,sha256=ZnNv2o0mab3z09FP8oqtT3z7bAPtBJ61p5u15A2LR1s,8713
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+ workbench/web_interface/components/plugin_unit_test.py,sha256=Lx3HhIMHzrwDUYs2bADSFYzQq3sFHS9RyA415hyUOdc,7747
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- workbench/web_interface/components/plugins/dashboard_status.py,sha256=8Tu38lR5YgntxDjz_x2XfLiW7SOdreNLOFT5VkbYzKo,5748
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+ workbench/web_interface/components/plugins/dashboard_status.py,sha256=4plmoiXj3dDjoQerUNpep_jfk50pI9rHvcoSP20UbE8,5832
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  workbench/web_interface/components/plugins/data_details.py,sha256=pZm1AbM_0EXQwx77qUkfyrU9MedAs4Wlkp6iOtSrUtI,11104
260
292
  workbench/web_interface/components/plugins/endpoint_details.py,sha256=0A7g_Lx5-3XnDWOGT3YEDPNpmME_-WfYc65f-rRVjJE,3769
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- workbench/web_interface/components/plugins/generated_compounds.py,sha256=hC0sh-1_rbN55Huno-E_2wF37kgIHi5Mtaer6Xk5fRM,8052
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+ workbench/web_interface/components/plugins/generated_compounds.py,sha256=A6JGlkl7buZUugPK21YgufVFDRoGlHJowaqf8PAmz_s,8056
262
294
  workbench/web_interface/components/plugins/graph_plot.py,sha256=JFzuSH_CkEmlaLAgFpzmiEpS3sXov0ycnCfP0VLsK2g,14502
263
295
  workbench/web_interface/components/plugins/license_details.py,sha256=UyMSBGxEgdp3m9szDkDUAl_Ua8C5a4RNMdYpYCx354M,5497
264
- workbench/web_interface/components/plugins/model_details.py,sha256=BBvT3zdGHpRWz4V9SpNO0AFMPaExWMbNAE1_onfCGRI,10294
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+ workbench/web_interface/components/plugins/model_details.py,sha256=mgAZdhZhKcOoDKYhazGbKb5qM5et0U6nX_7VeWsz_zg,9177
265
297
  workbench/web_interface/components/plugins/molecule_panel.py,sha256=xGCEI5af8F5lNId5eKUpetdQs_ahnIPdW6U7wKvbz2o,3515
266
298
  workbench/web_interface/components/plugins/molecule_viewer.py,sha256=xavixcu4RNzh6Nj_-3-XlK09DgpNx5jGmo3wEPNftiE,4529
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299
  workbench/web_interface/components/plugins/pipeline_details.py,sha256=caiFIakHk-1dGGNW7wlio2X7iAm2_tCNbSjDzoRWGEk,5534
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  workbench/web_interface/components/plugins/proximity_mini_graph.py,sha256=b_YYnvLczJUhaDbrrXnyjUDYF7C4R4ufCZXtJiyRnJ0,7233
269
- workbench/web_interface/components/plugins/scatter_plot.py,sha256=j8J1-m_xZjG0hgaMevbRvKaTAze0GglpMMDlP3WA_6U,19106
301
+ workbench/web_interface/components/plugins/scatter_plot.py,sha256=p2mXBKXT25uVfU9Ps3xSx5q1dxRcL9z6tPEyhfoXQ0A,18945
270
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  workbench/web_interface/components/plugins/shap_summary_plot.py,sha256=_V-xxVehU-60IpYWvAqTW5x_6u6pbjz9mI8r0ppIXKg,9454
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  workbench/web_interface/page_views/data_sources_page_view.py,sha256=SXNUG6n_eP9i4anddEXd5E9rMRt-R2EyNR-bbe8OQK4,4673
272
304
  workbench/web_interface/page_views/endpoints_page_view.py,sha256=EI3hA18pEn-mAPEzGAw0W-wM8qJR2j_8pQEJlbJCENk,2770
@@ -275,9 +307,9 @@ workbench/web_interface/page_views/main_page.py,sha256=X4-KyGTKLAdxR-Zk2niuLJB2Y
275
307
  workbench/web_interface/page_views/models_page_view.py,sha256=M0bdC7bAzLyIaE2jviY12FF4abdMFZmg6sFuOY_LaGI,2650
276
308
  workbench/web_interface/page_views/page_view.py,sha256=Gh6YnpOGlUejx-bHZAf5pzqoQ1H1R0OSwOpGhOBO06w,455
277
309
  workbench/web_interface/page_views/pipelines_page_view.py,sha256=v2pxrIbsHBcYiblfius3JK766NZ7ciD2yPx0t3E5IJo,2656
278
- workbench-0.8.162.dist-info/licenses/LICENSE,sha256=z4QMMPlLJkZjU8VOKqJkZiQZCEZ--saIU2Z8-p3aVc0,1080
279
- workbench-0.8.162.dist-info/METADATA,sha256=2f0Ok7oYPAE3FA8mcG-9ySPkn1T_NygcKi3hNeXMEZY,9264
280
- workbench-0.8.162.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
281
- workbench-0.8.162.dist-info/entry_points.txt,sha256=oZykkheWiiIBjRE8cS5SdcxwmZKSFaQEGwMBjNh-eNM,238
282
- workbench-0.8.162.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
283
- workbench-0.8.162.dist-info/RECORD,,
310
+ workbench-0.8.220.dist-info/licenses/LICENSE,sha256=RTBoTMeEwTgEhS-n8vgQ-VUo5qig0PWVd8xFPKU6Lck,1080
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+ workbench-0.8.220.dist-info/METADATA,sha256=j6K4sjuGvYAXHfR2BD2j9wQBtZE-BpEdSvdKGmC4ZyU,10525
312
+ workbench-0.8.220.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
313
+ workbench-0.8.220.dist-info/entry_points.txt,sha256=t_9tY7iYku9z96qFZZtUgbWDh_nHtehXxLPLBSpAzeM,566
314
+ workbench-0.8.220.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
315
+ workbench-0.8.220.dist-info/RECORD,,
@@ -0,0 +1,11 @@
1
+ [console_scripts]
2
+ cloud_watch = workbench.scripts.monitor_cloud_watch:main
3
+ endpoint_test = workbench.scripts.endpoint_test:main
4
+ glue_launcher = workbench.scripts.glue_launcher:main
5
+ lambda_test = workbench.scripts.lambda_test:main
6
+ meta_model_sim = workbench.scripts.meta_model_sim:main
7
+ ml_pipeline_batch = workbench.scripts.ml_pipeline_batch:main
8
+ ml_pipeline_sqs = workbench.scripts.ml_pipeline_sqs:main
9
+ training_test = workbench.scripts.training_test:main
10
+ workbench = workbench.repl.workbench_shell:launch_shell
11
+ workbench_config = workbench.scripts.show_config:main
@@ -1,6 +1,6 @@
1
1
  MIT License
2
2
 
3
- Copyright (c) 2021-2024 SuperCowPowers LLC
3
+ Copyright (c) 2021-2026 SuperCowPowers LLC
4
4
 
5
5
  Permission is hereby granted, free of charge, to any person obtaining a copy
6
6
  of this software and associated documentation files (the "Software"), to deal