workbench 0.8.205__py3-none-any.whl → 0.8.213__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/models/noise_model.py +388 -0
- workbench/api/endpoint.py +3 -6
- workbench/api/feature_set.py +1 -1
- workbench/api/model.py +5 -11
- workbench/cached/cached_model.py +4 -4
- workbench/core/artifacts/endpoint_core.py +63 -153
- workbench/core/artifacts/model_core.py +21 -19
- workbench/core/transforms/features_to_model/features_to_model.py +2 -2
- workbench/core/transforms/model_to_endpoint/model_to_endpoint.py +1 -1
- workbench/model_script_utils/model_script_utils.py +335 -0
- workbench/model_script_utils/pytorch_utils.py +395 -0
- workbench/model_script_utils/uq_harness.py +278 -0
- workbench/model_scripts/chemprop/chemprop.template +289 -666
- workbench/model_scripts/chemprop/generated_model_script.py +292 -669
- workbench/model_scripts/chemprop/model_script_utils.py +335 -0
- workbench/model_scripts/chemprop/requirements.txt +2 -10
- workbench/model_scripts/pytorch_model/generated_model_script.py +355 -612
- workbench/model_scripts/pytorch_model/model_script_utils.py +335 -0
- workbench/model_scripts/pytorch_model/pytorch.template +350 -607
- workbench/model_scripts/pytorch_model/pytorch_utils.py +395 -0
- workbench/model_scripts/pytorch_model/requirements.txt +1 -1
- workbench/model_scripts/pytorch_model/uq_harness.py +278 -0
- workbench/model_scripts/script_generation.py +2 -5
- workbench/model_scripts/uq_models/generated_model_script.py +65 -422
- workbench/model_scripts/xgb_model/generated_model_script.py +349 -412
- workbench/model_scripts/xgb_model/model_script_utils.py +335 -0
- workbench/model_scripts/xgb_model/uq_harness.py +278 -0
- workbench/model_scripts/xgb_model/xgb_model.template +344 -407
- workbench/scripts/training_test.py +85 -0
- workbench/utils/chemprop_utils.py +18 -656
- workbench/utils/metrics_utils.py +172 -0
- workbench/utils/model_utils.py +104 -47
- workbench/utils/pytorch_utils.py +32 -472
- workbench/utils/xgboost_local_crossfold.py +267 -0
- workbench/utils/xgboost_model_utils.py +49 -356
- workbench/web_interface/components/plugins/model_details.py +30 -68
- {workbench-0.8.205.dist-info → workbench-0.8.213.dist-info}/METADATA +5 -5
- {workbench-0.8.205.dist-info → workbench-0.8.213.dist-info}/RECORD +42 -31
- {workbench-0.8.205.dist-info → workbench-0.8.213.dist-info}/entry_points.txt +1 -0
- workbench/model_scripts/uq_models/mapie.template +0 -605
- workbench/model_scripts/uq_models/requirements.txt +0 -1
- {workbench-0.8.205.dist-info → workbench-0.8.213.dist-info}/WHEEL +0 -0
- {workbench-0.8.205.dist-info → workbench-0.8.213.dist-info}/licenses/LICENSE +0 -0
- {workbench-0.8.205.dist-info → workbench-0.8.213.dist-info}/top_level.txt +0 -0
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@@ -18,6 +18,7 @@ workbench/algorithms/graph/heavy/Readme.md,sha256=QzefnMevGXHBtaP3umzMNn2KEdNQMv
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workbench/algorithms/graph/light/Readme.md,sha256=8kP_hRrRC6JtKtl5qyTwrV6gdO5rz6uq54c8WW1fTLg,122
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workbench/algorithms/graph/light/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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workbench/algorithms/graph/light/proximity_graph.py,sha256=CdHQ7-Tt_Ab7KrKTsnXR-p8OoX52RiiM6zD0OS4dGK0,9631
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workbench/algorithms/models/noise_model.py,sha256=_--Ri76OK60qcNzF34XqwWNqSsieOreVJ5PFpV1Rvpo,14346
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workbench/algorithms/spark/Readme.md,sha256=18bPoFISlT3Ls5t1cBGb5N5Z6lOWyJupQkQxab1wcO4,615
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workbench/algorithms/sql/Readme.md,sha256=fzm4jQ-unJWT-fp5JhIjpApYSAqHUGSiuHE0eNfbF4A,685
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workbench/algorithms/sql/__init__.py,sha256=TbOZQwCfx6Tjc3pCCLCiM31wpCX26j5MBNQ6yG11EwY,462
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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=1qSYM3Xb4MwMMTMaF3CX0hOCEzhIbnra5Deivg4cryk,3014
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workbench/api/endpoint.py,sha256=
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workbench/api/feature_set.py,sha256=
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workbench/api/endpoint.py,sha256=q8KEoQ-KH0DxW4ZCKP8Mlqry5n9_QCg0QTgrPrwTp44,3724
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workbench/api/feature_set.py,sha256=4zorGPAxcXorsckF8f7ym0FrJwziZCqFelNDUxWF8S4,8054
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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=Y4LXMjxaPT1wFrw86NuccHZllYAWM5w5h_OaTX0IeWQ,4047
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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/api/pipeline.py,sha256=MSYGrDSXrRB_oQELtAlOwBfxSBTw3REAkHy5XBHau0Y,6261
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workbench/cached/cached_endpoint.py,sha256=HxS8V9MF43uSy-Yu-pAs15PbNeq6u_JGXU332DDIQMc,2630
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workbench/cached/cached_feature_set.py,sha256=vJe2WUTeIyMAvCM1Jp-sPLbX6S0Y7jv51FAhhMgrSDE,2780
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workbench/cached/cached_meta.py,sha256=DTlnb6jblviVmSg9w0F6LRVIuQ_lWBNqGh8vqKP5Baw,12257
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workbench/cached/cached_model.py,sha256=
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workbench/cached/cached_model.py,sha256=c2DosGbGLPnlBrjt67uXoMrAVOVS8tsljUTyflpOHac,4340
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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=ukcgbYlI9m99bzwaBNO01K1h0-cQkzsbh_jT_GyQ-LY,1034
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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/df_store_core.py,sha256=AueNr_JvuLLu_ByE7cb3u-isH9u0Q7cMP-UCgCX-Ctg,3536
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workbench/core/artifacts/endpoint_core.py,sha256=qEjdbzUMeiZZHyJoGQbjCuFKjCVa89fFISnD5hfC7Yw,56787
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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=LDH6wgN1521q7klkVF17t7tmueKH095B42_PlSAileo,52251
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workbench/core/artifacts/monitor_core.py,sha256=M307yz7tEzOEHgv-LmtVy9jKjSbM98fHW3ckmNYrwlU,27897
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workbench/core/artifacts/parameter_store_core.py,sha256=sHvjJMuybM4qdcKhH-Sx6Ur6Yn5ozA3QHwtidsnhyG8,2867
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workbench/core/cloud_platform/cloud_meta.py,sha256=-g4-LTC3D0PXb3VfaXdLR1ERijKuHdffeMK_zhD-koQ,8809
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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=Xbw20zMeeOKAueNeIWaRNQJFrw8N465qC3TkW0eGdu8,21074
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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=INu7q_tjkI52WA5Xhyas74LK7larIUQyvz9MlsrCYtc,7012
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workbench/core/transforms/pandas_transforms/__init__.py,sha256=xL4MT8-fZ1SFqDbTLc8XyxjupHtB1YR6Ej0AC2nwd7I,894
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workbench/core/transforms/pandas_transforms/data_to_pandas.py,sha256=sJHPeuNF8Q8aQqgRnkdWkyvur5cbggdUVIwR-xF3Dlo,3621
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workbench/core/views/storage/mdq_view.py,sha256=qf_ep1KwaXOIfO930laEwNIiCYP7VNOqjE3VdHfopRE,5195
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workbench/model_script_utils/model_script_utils.py,sha256=9Js8bc57osH-kkreWPq09VtWeIQ7buzMqutgV63u0UI,11479
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workbench/model_script_utils/pytorch_utils.py,sha256=ra9LS-9-u4fmRy2Zlcih6KL8LCose42mXCxdaaaf9As,13321
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workbench/model_script_utils/uq_harness.py,sha256=70b7dI9Wls03ff6zm2TpfKIsboVBKsj7P7fNzmMe6c0,10305
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workbench/model_scripts/script_generation.py,sha256=1wbMyIN-cnuopmt8L2YG68Mn4k9vP6NPrQfNsWqjaaA,8005
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workbench/model_scripts/chemprop/chemprop.template,sha256=3qgZCI0cIxCQKy9RxzGR_UeVPZ7fFTWNa6xD2Uq5kaY,26110
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workbench/model_scripts/chemprop/generated_model_script.py,sha256=Zce9seKhWInKKyk9nN_EJedAFlkbNDJqVqzc3SnwA5A,26820
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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/mol_descriptors.py,sha256=c8gkHZ-8s3HJaW9zN9pnYGK7YVW8Y0xFqQ1G_ysrF2Y,18789
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workbench/model_scripts/ensemble_xgb/ensemble_xgb.template,sha256=lMEx0IkawcpTI52gSjCp1Wr0g2vWd4kIGuIqjXhA2GA,10671
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workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=miO9iCd7a9wA2UAS8vnI1yODIkYZeQnlQoxtPvY5oVU,23794
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