workbench 0.8.197__py3-none-any.whl → 0.8.201__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- workbench/algorithms/dataframe/proximity.py +19 -12
- workbench/api/__init__.py +2 -1
- workbench/api/feature_set.py +7 -4
- workbench/api/model.py +1 -1
- workbench/core/artifacts/__init__.py +11 -2
- workbench/core/artifacts/endpoint_core.py +84 -46
- workbench/core/artifacts/feature_set_core.py +69 -1
- workbench/core/artifacts/model_core.py +37 -7
- workbench/core/cloud_platform/aws/aws_parameter_store.py +18 -2
- workbench/core/transforms/features_to_model/features_to_model.py +23 -20
- workbench/core/views/view.py +2 -2
- workbench/model_scripts/chemprop/chemprop.template +931 -0
- workbench/model_scripts/chemprop/generated_model_script.py +931 -0
- workbench/model_scripts/chemprop/requirements.txt +11 -0
- workbench/model_scripts/custom_models/chem_info/fingerprints.py +134 -0
- workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py +1 -1
- workbench/model_scripts/custom_models/proximity/proximity.py +19 -12
- workbench/model_scripts/custom_models/uq_models/proximity.py +19 -12
- workbench/model_scripts/pytorch_model/generated_model_script.py +130 -88
- workbench/model_scripts/pytorch_model/pytorch.template +128 -86
- workbench/model_scripts/scikit_learn/generated_model_script.py +302 -0
- workbench/model_scripts/script_generation.py +10 -7
- workbench/model_scripts/uq_models/generated_model_script.py +25 -18
- workbench/model_scripts/uq_models/mapie.template +23 -16
- workbench/model_scripts/xgb_model/generated_model_script.py +6 -6
- workbench/model_scripts/xgb_model/xgb_model.template +2 -2
- workbench/repl/workbench_shell.py +14 -5
- workbench/scripts/endpoint_test.py +162 -0
- workbench/scripts/{lambda_launcher.py → lambda_test.py} +10 -0
- workbench/utils/chemprop_utils.py +724 -0
- workbench/utils/pytorch_utils.py +497 -0
- workbench/utils/xgboost_model_utils.py +12 -5
- {workbench-0.8.197.dist-info → workbench-0.8.201.dist-info}/METADATA +2 -2
- {workbench-0.8.197.dist-info → workbench-0.8.201.dist-info}/RECORD +38 -30
- {workbench-0.8.197.dist-info → workbench-0.8.201.dist-info}/entry_points.txt +2 -1
- {workbench-0.8.197.dist-info → workbench-0.8.201.dist-info}/WHEEL +0 -0
- {workbench-0.8.197.dist-info → workbench-0.8.201.dist-info}/licenses/LICENSE +0 -0
- {workbench-0.8.197.dist-info → workbench-0.8.201.dist-info}/top_level.txt +0 -0
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@@ -6,7 +6,7 @@ workbench/algorithms/dataframe/data_source_eda.py,sha256=WgVL6tzBCw1tznQr8RQ6daQ
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workbench/algorithms/dataframe/feature_space_proximity.py,sha256=6RxzvbpLdDkHMm1D49Nv59SFcyYUj8bisd6_5EpBEGI,3515
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workbench/algorithms/dataframe/fingerprint_proximity.py,sha256=nGxfmYQ3bfMtvs90s4p7gaY9DN4gijdDU7R6B2lRHgo,5825
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workbench/algorithms/dataframe/projection_2d.py,sha256=zK4hc0OQrySmfcfFg8y0GxEL34uDNqvZL4OgttB9vRs,7834
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workbench/algorithms/dataframe/proximity.py,sha256=
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workbench/algorithms/dataframe/proximity.py,sha256=dPTYD1N-JTIqg6iL7ak_JSouaCdfmBPjG08IRRvTLXU,15836
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workbench/algorithms/dataframe/storage/aggregation.py,sha256=VuTb7A6Vh6IS5djZeItvOLnnEOlf7tzMQ8OaYIuftvU,2852
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workbench/algorithms/dataframe/storage/feature_resolution.py,sha256=w_iLf8EFTg7Jc5laH-bsq8MEtZVqcg05W-GihCqR-r4,9450
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workbench/algorithms/dataframe/storage/feature_spider.py,sha256=uIZ4JHIKuhpy08wBFReSrohb5DGxx8vGroHUbjPm1jE,14353
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@@ -27,15 +27,15 @@ workbench/algorithms/sql/descriptive_stats.py,sha256=VxSR5zQi8NmAWrJvOCO3wrmgVHY
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workbench/algorithms/sql/outliers.py,sha256=2hoilOk0gaz9pwrnGEBY2y7M-UqFED3KO_mFm_0_3ac,10645
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workbench/algorithms/sql/sample_rows.py,sha256=SRYoGb24QP_iPvOoW9bGZ95yZuseYDtyoNhilfoLu34,2688
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workbench/algorithms/sql/value_counts.py,sha256=F-rZoLTTKv1cHYl2_tDlvWDjczy76uLTr3EMHa-WrEk,3340
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workbench/api/__init__.py,sha256=
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workbench/api/__init__.py,sha256=KDKzFb4SL8AArtd9ucTkFYdCxbsBMbK1ZMkj0G2rACY,1065
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workbench/api/compound.py,sha256=kf5EaM5qjWwsZutcxqj9IC_MPnDV1uVHDMns9OA_GOo,2545
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workbench/api/data_source.py,sha256=Ngz36YZWxFfpJbmURhM1LQPYjh5kdpZNGo6_fCRePbA,8321
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workbench/api/df_store.py,sha256=Wybb3zO-jPpAi2Ns8Ks1-lagvXAaBlRpBZHhnnl3Lms,6131
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workbench/api/endpoint.py,sha256=spLse2UoAsZdu_ZxmAvMJX_aX-zutAsQ5_SPm9Xt-nA,3839
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workbench/api/feature_set.py,sha256=
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workbench/api/feature_set.py,sha256=igzOnDbdU-qkdrYZ4ldvfjiQtC1Mvj-4j8YbHuPcY2w,6903
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workbench/api/graph_store.py,sha256=LremJyPrQFgsHb7hxsctuCsoxx3p7TKtaY5qALHe6pc,4372
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workbench/api/meta.py,sha256=1_9989cPvf3hd3tA-83hLijOGNnhwXAF8aZF45adeDQ,8596
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workbench/api/model.py,sha256=
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workbench/api/model.py,sha256=fncUc8MJwXyteKeXOlAy5IMjE48sH_VmDBi3P2MPGG4,4458
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workbench/api/monitor.py,sha256=Cez89Uac7Tzt47FxkjoX-YDGccEhvBcxw3sZFtw4ud8,4506
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workbench/api/parameter_store.py,sha256=7BObkuATuP6C5AG_46kCWsmuCwuh1vgMJDBSN0gTkwM,4294
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workbench/api/pipeline.py,sha256=MSYGrDSXrRB_oQELtAlOwBfxSBTw3REAkHy5XBHau0Y,6261
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@@ -47,16 +47,16 @@ workbench/cached/cached_meta.py,sha256=DTlnb6jblviVmSg9w0F6LRVIuQ_lWBNqGh8vqKP5B
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workbench/cached/cached_model.py,sha256=iMc_fySUE5qau3feduVXMNb24JY0sBjt1g6WeLLciXc,4348
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workbench/cached/cached_pipeline.py,sha256=QOVnEKu5RbIdlNpJUi-0Ebh0_-C68RigSPwKh4dvZTM,1948
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workbench/core/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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workbench/core/artifacts/__init__.py,sha256=
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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=WFGC1F61d7uFSRB7UTWYOF8O_wk8F9rn__THJL2veLM,17752
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workbench/core/artifacts/athena_source.py,sha256=RNmCe7s6uH4gVHpcdJcL84aSbF5Q1ahJBLLGwHYRXEU,26081
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workbench/core/artifacts/cached_artifact_mixin.py,sha256=ngqFLZ4cQx_TFouXZgXZQsv_7W6XCvxVGXXSfzzaft8,3775
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workbench/core/artifacts/data_capture_core.py,sha256=q8f79rRTYiZ7T4IQRWXl8ZvPpcvZyNxYERwvo8o0OQc,14858
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workbench/core/artifacts/data_source_abstract.py,sha256=5IRCzFVK-17cd4NXPMRfx99vQAmQ0WHE5jcm5RfsVTg,10619
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workbench/core/artifacts/data_source_factory.py,sha256=YL_tA5fsgubbB3dPF6T4tO0rGgz-6oo3ge4i_YXVC-M,2380
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workbench/core/artifacts/endpoint_core.py,sha256=
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workbench/core/artifacts/feature_set_core.py,sha256
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workbench/core/artifacts/model_core.py,sha256=
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workbench/core/artifacts/endpoint_core.py,sha256=JNKSaJUlxJu3MaIUH1DWt4-3pq1mSKA_iz2O4Z-FhpE,54599
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workbench/core/artifacts/feature_set_core.py,sha256=wZy-02WXWmSBet5t8mWXFRdv9O4MtW3hWqJuVv7Kok0,39330
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workbench/core/artifacts/model_core.py,sha256=FYI55IrOP_yFlcskykBJlusll6XudYw64n1vfuR2UjY,52272
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workbench/core/artifacts/monitor_core.py,sha256=M307yz7tEzOEHgv-LmtVy9jKjSbM98fHW3ckmNYrwlU,27897
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workbench/core/cloud_platform/cloud_meta.py,sha256=-g4-LTC3D0PXb3VfaXdLR1ERijKuHdffeMK_zhD-koQ,8809
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workbench/core/cloud_platform/aws/README.md,sha256=QT5IQXoUHbIA0qQ2wO6_2P2lYjYQFVYuezc22mWY4i8,97
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@@ -64,7 +64,7 @@ workbench/core/cloud_platform/aws/aws_account_clamp.py,sha256=V5iVsoGvSRilARtTdE
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workbench/core/cloud_platform/aws/aws_df_store.py,sha256=utRIlTCPwFneHHZ8_Z3Hw3rOJSeryiFA4wBtucxULRQ,15055
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workbench/core/cloud_platform/aws/aws_graph_store.py,sha256=ytYxQTplUmeWbsPmxyZbf6mO9qyTl60ewlJG8MyfyEY,9414
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workbench/core/cloud_platform/aws/aws_meta.py,sha256=eY9Pn6pl2yAyseACFb2nitR-0vLwG4i8CSEXe8Iaswc,34778
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workbench/core/cloud_platform/aws/aws_parameter_store.py,sha256=
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workbench/core/cloud_platform/aws/aws_parameter_store.py,sha256=pOxlorMvtH_QeuvSlMJrQSeALcRaQSnskR4uPu_xStM,11075
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workbench/core/cloud_platform/aws/aws_secrets_manager.py,sha256=TUnddp1gX-OwxJ_oO5ONh7OI4Z2HC_6euGkJ-himCCk,8615
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workbench/core/cloud_platform/aws/aws_session.py,sha256=2Gc_k4Q87BBeQDgXgVR-w-qmsF6ncZR8wvTeNnixM6k,6926
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workbench/core/cloud_platform/aws/cache_dataframe.py,sha256=VnObkVqcjg7v4fegrIkXR1j-K2AHTBpSAoriUXDe12A,2314
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@@ -102,7 +102,7 @@ workbench/core/transforms/features_to_features/__init__.py,sha256=47DEQpj8HBSa-_
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workbench/core/transforms/features_to_features/heavy/emr/Readme.md,sha256=YtQgCEQeKe0CQXQkhzMTYq9xOtCsCYb5P5LW2BmRKWQ,68
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workbench/core/transforms/features_to_features/heavy/glue/Readme.md,sha256=TuyCatWfoDr99zUwvOcxf-TqMkQzaMqXlj5nmFcRzfo,48
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workbench/core/transforms/features_to_model/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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workbench/core/transforms/features_to_model/features_to_model.py,sha256=
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workbench/core/transforms/features_to_model/features_to_model.py,sha256=hALtU7GniRch9-TuMKv-YwTBfq7pfXsgN9lKFs3fj_8,20296
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workbench/core/transforms/model_to_endpoint/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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workbench/core/transforms/model_to_endpoint/model_to_endpoint.py,sha256=TIYXvuK0s383PwJ4iS6fCRhuif6oIxsoWb4CpMGJjY4,6358
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workbench/core/transforms/pandas_transforms/__init__.py,sha256=xL4MT8-fZ1SFqDbTLc8XyxjupHtB1YR6Ej0AC2nwd7I,894
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@@ -119,21 +119,25 @@ workbench/core/views/display_view.py,sha256=9K4O77ZnKOh93aMRhxcQJQ1lqScLhuJnU_tH
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workbench/core/views/inference_view.py,sha256=9s70M0dFdGq0tWvzMZfgUK7EPKtuvcQhux0uyRZuuLM,3293
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workbench/core/views/pandas_to_view.py,sha256=20uCsnG2iMh-U1VxqVUUtnrWAY98SeuHjmfJK_wcq1I,6422
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workbench/core/views/training_view.py,sha256=7HwhbQhDBhT3Zo_gssS-b4eueJ0h9nqqT8YGFSuaEcU,9016
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workbench/core/views/view.py,sha256=
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workbench/core/views/view.py,sha256=DvmEA1xdvL980GET_cnbmHzqSy6IhlNaZcoQnVTtYis,13534
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workbench/core/views/view_utils.py,sha256=CwOlpqXpumCr6REi-ey7Qjz5_tpg-s4oWHmlOVu8POQ,12270
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workbench/core/views/storage/mdq_view.py,sha256=qf_ep1KwaXOIfO930laEwNIiCYP7VNOqjE3VdHfopRE,5195
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workbench/model_scripts/script_generation.py,sha256=
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workbench/model_scripts/script_generation.py,sha256=_AhzM2qzjBuI7pIaXBRZ1YOOs2lwsKQGVM_ovL6T1bo,8135
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workbench/model_scripts/chemprop/chemprop.template,sha256=WjuF61kRxn5wuRDQkxLkcc8voccW8s6oo1XXmDqksYA,37076
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workbench/model_scripts/chemprop/generated_model_script.py,sha256=z79wCajIHYWzWB3dVGGaiQ3M3sPPxcMVY78sx35PQvQ,37079
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workbench/model_scripts/chemprop/requirements.txt,sha256=PIuUdPAeDUH3I2M_5nIrCnCfs3FL1l9V5kzHqgCcu7s,281
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workbench/model_scripts/custom_models/chem_info/Readme.md,sha256=mH1lxJ4Pb7F5nBnVXaiuxpi8zS_yjUw_LBJepVKXhlA,574
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workbench/model_scripts/custom_models/chem_info/fingerprints.py,sha256=Qvs8jaUwguWUq3Q3j695MY0t0Wk3BvroW-oWBwalMUo,5255
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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/mol_standardize.py,sha256=qPLCdVMSXMOWN-01O1isg2zq7eQyFAI0SNatHkRq1uw,17524
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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/chem_info/morgan_fingerprints.py,sha256=
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workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py,sha256=LqVh_AHObo0uxHt_uNmeemScTLjM2j9C3I_QFJXdmUI,3232
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workbench/model_scripts/custom_models/chem_info/requirements.txt,sha256=7HBUzvNiM8lOir-UfQabXYlUp3gxdGJ42u18EuSMGjc,39
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workbench/model_scripts/custom_models/meta_endpoints/example.py,sha256=hzOAuLhIGB8vei-555ruNxpsE1GhuByHGjGB0zw8GSs,1726
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workbench/model_scripts/custom_models/network_security/Readme.md,sha256=Z2gtiu0hLHvEJ1x-_oFq3qJZcsK81sceBAGAGltpqQ8,222
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workbench/model_scripts/custom_models/proximity/Readme.md,sha256=RlMFAJZgAT2mCgDk-UwR_R0Y_NbCqeI5-8DUsxsbpWQ,289
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workbench/model_scripts/custom_models/proximity/feature_space_proximity.template,sha256=eOllmqB20BWtTiV53dgpIqXKtgSbPFDW_zf8PvM3oF0,4813
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workbench/model_scripts/custom_models/proximity/proximity.py,sha256=dPTYD1N-JTIqg6iL7ak_JSouaCdfmBPjG08IRRvTLXU,15836
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workbench/model_scripts/custom_models/uq_models/Readme.md,sha256=UVpL-lvtTrLqwBeQFinLhd_uNrEw4JUlggIdUSDrd-w,188
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workbench/model_scripts/custom_models/uq_models/bayesian_ridge.template,sha256=ca3CaAk6HVuNv1HnPgABTzRY3oDrRxomjgD4V1ZDwoc,6448
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workbench/model_scripts/custom_models/uq_models/gaussian_process.template,sha256=3nMlCi8nEbc4N-MQTzjfIcljfDQkUmWeLBfmd18m5fg,6632
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workbench/model_scripts/custom_models/uq_models/meta_uq.template,sha256=XTfhODRaHlI1jZGo9pSe-TqNsk2_nuSw0xMO2fKzDv8,14011
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workbench/model_scripts/custom_models/uq_models/ngboost.template,sha256=v1rviYTJGJnQRGgAyveXhOQlS-WFCTlc2vdnWq6HIXk,8241
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workbench/model_scripts/custom_models/uq_models/proximity.py,sha256=dPTYD1N-JTIqg6iL7ak_JSouaCdfmBPjG08IRRvTLXU,15836
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workbench/model_scripts/custom_models/uq_models/requirements.txt,sha256=fw7T7t_YJAXK3T6Ysbesxh_Agx_tv0oYx72cEBTqRDY,98
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workbench/model_scripts/custom_script_example/custom_model_script.py,sha256=T8aydawgRVAdSlDimoWpXxG2YuWWQkbcjBVjAeSG2_0,6408
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workbench/model_scripts/ensemble_xgb/ensemble_xgb.template,sha256=pWmuo-EVz0owvkRI-h9mUTYt1-ouyD-_yyQu6SQbYZ4,10350
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