workbench 0.8.193__py3-none-any.whl → 0.8.197__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.
Files changed (29) hide show
  1. workbench/algorithms/dataframe/__init__.py +1 -2
  2. workbench/algorithms/dataframe/fingerprint_proximity.py +2 -2
  3. workbench/algorithms/dataframe/proximity.py +212 -234
  4. workbench/algorithms/graph/light/proximity_graph.py +8 -7
  5. workbench/api/endpoint.py +2 -3
  6. workbench/api/model.py +2 -5
  7. workbench/core/artifacts/endpoint_core.py +25 -16
  8. workbench/core/artifacts/feature_set_core.py +126 -4
  9. workbench/core/artifacts/model_core.py +9 -14
  10. workbench/core/transforms/features_to_model/features_to_model.py +3 -3
  11. workbench/core/views/training_view.py +75 -0
  12. workbench/core/views/view.py +1 -1
  13. workbench/model_scripts/custom_models/proximity/proximity.py +212 -234
  14. workbench/model_scripts/custom_models/uq_models/proximity.py +212 -234
  15. workbench/model_scripts/pytorch_model/generated_model_script.py +567 -0
  16. workbench/model_scripts/uq_models/generated_model_script.py +589 -0
  17. workbench/model_scripts/uq_models/mapie.template +103 -6
  18. workbench/model_scripts/xgb_model/generated_model_script.py +4 -4
  19. workbench/repl/workbench_shell.py +3 -3
  20. workbench/utils/model_utils.py +10 -7
  21. workbench/utils/xgboost_model_utils.py +93 -34
  22. workbench/web_interface/components/plugin_unit_test.py +5 -2
  23. workbench/web_interface/components/plugins/model_details.py +2 -5
  24. {workbench-0.8.193.dist-info → workbench-0.8.197.dist-info}/METADATA +1 -1
  25. {workbench-0.8.193.dist-info → workbench-0.8.197.dist-info}/RECORD +29 -27
  26. {workbench-0.8.193.dist-info → workbench-0.8.197.dist-info}/WHEEL +0 -0
  27. {workbench-0.8.193.dist-info → workbench-0.8.197.dist-info}/entry_points.txt +0 -0
  28. {workbench-0.8.193.dist-info → workbench-0.8.197.dist-info}/licenses/LICENSE +0 -0
  29. {workbench-0.8.193.dist-info → workbench-0.8.197.dist-info}/top_level.txt +0 -0
@@ -1,12 +1,12 @@
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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/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/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=P8f3GHRhuc4QHj5KkKW0JMrHhIo2QdBiFG-JituTV1U,14633
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+ workbench/algorithms/dataframe/proximity.py,sha256=AkzcXvSEtbJdJwHYWoitaGOrTMUJZbrPzTvY8q-Fr8s,15383
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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
@@ -17,7 +17,7 @@ workbench/algorithms/graph/__init__.py,sha256=Hi2vBi-qw2OPLZnCu5qVTDdorRMOd3wNIt
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  workbench/algorithms/graph/heavy/Readme.md,sha256=QzefnMevGXHBtaP3umzMNn2KEdNQMvJkJNbhkrUw7QE,96
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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=cwPqyswX4l4my8yGyC3LDZ0Jc5ZkVFx3N6W8xFxfzEY,9651
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+ workbench/algorithms/graph/light/proximity_graph.py,sha256=CdHQ7-Tt_Ab7KrKTsnXR-p8OoX52RiiM6zD0OS4dGK0,9631
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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
@@ -31,11 +31,11 @@ workbench/api/__init__.py,sha256=kvrP70ypDOMdPGj_Eeftdh8J0lu_1qQVne6GXMkD4_E,102
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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=RDQs78OFRSp9GYGHHph0gLtAfF4p3We96bzdJ4-9bzw,3926
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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=Yxei3tvWR4gSLcdJnNndux07dNeKNu1HKgsChJtHxEM,6633
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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=coIl2QwbfyeVBM_Y2SaU587ioBh2TTDC9r9bOuYme9U,4605
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+ workbench/api/model.py,sha256=apDRhbnbQvSu-krQJm0zQWvbKNs7DUcslMwLKq4edHk,4442
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  workbench/api/monitor.py,sha256=Cez89Uac7Tzt47FxkjoX-YDGccEhvBcxw3sZFtw4ud8,4506
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  workbench/api/pipeline.py,sha256=MSYGrDSXrRB_oQELtAlOwBfxSBTw3REAkHy5XBHau0Y,6261
@@ -54,9 +54,9 @@ workbench/core/artifacts/cached_artifact_mixin.py,sha256=ngqFLZ4cQx_TFouXZgXZQsv
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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=VH-q-R4pfKyjCOXl2Gq1pxMNf4Ir0YdMw9YIHqd7CVU,51974
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- workbench/core/artifacts/feature_set_core.py,sha256=6qOJoJ9_qwtyz4neFY6vMn73Ujjeut7E0dy_e8nYfSE,31462
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- workbench/core/artifacts/model_core.py,sha256=hY-2w_N4HtCO-vnfVQP22_PYYsnoAQfZzSS3vrP1wYY,51281
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+ workbench/core/artifacts/endpoint_core.py,sha256=3e7GOWviFvVKU32bKzHGaDAk-wWxuglnZ0nPEXB0LXE,52200
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+ workbench/core/artifacts/feature_set_core.py,sha256=-4_FR4lLGHoeOkPRsAliEubVqZgai2RJJr1qJMo9Wao,36645
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+ workbench/core/artifacts/model_core.py,sha256=9UBuIm0xjFZlIlJ5YX945y5tGaAYz0YzlT5LWk_oG98,51156
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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
@@ -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=MHJQbKpzBQzW-ZXVfmYQ_1yvAHVPHsw81udBWotxiac,20115
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+ workbench/core/transforms/features_to_model/features_to_model.py,sha256=cExOKz6lrpSMQk2TgUDhiF9jxzAiOtrKSmasKlWVCO4,20110
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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
@@ -118,8 +118,8 @@ workbench/core/views/create_view.py,sha256=2Ykzb2NvJGoD4PP4k2Bka46GDog9iGG5SWnAc
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- workbench/core/views/training_view.py,sha256=Wk5fWvnoapngGCHEkqYzRvSNw2f-ZRvhsrzRMYGZfuE,6274
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- workbench/core/views/view.py,sha256=QdUSGcrNzpzcwkSkutyptqrlXJZZReWzd2Uc6xQRd8A,13524
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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=8pZSVDhOFMnAh49ccvnvjQs0dWpiA5IeHaYrztRcqkM,13532
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  workbench/model_scripts/script_generation.py,sha256=dLxVRrvrrI_HQatJRAXta6UEbFFbkgITNvDJllQZyCM,7905
@@ -133,7 +133,7 @@ workbench/model_scripts/custom_models/meta_endpoints/example.py,sha256=hzOAuLhIG
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- workbench/model_scripts/custom_models/proximity/proximity.py,sha256=P8f3GHRhuc4QHj5KkKW0JMrHhIo2QdBiFG-JituTV1U,14633
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+ workbench/model_scripts/custom_models/proximity/proximity.py,sha256=AkzcXvSEtbJdJwHYWoitaGOrTMUJZbrPzTvY8q-Fr8s,15383
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+ workbench/model_scripts/custom_models/uq_models/proximity.py,sha256=AkzcXvSEtbJdJwHYWoitaGOrTMUJZbrPzTvY8q-Fr8s,15383
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+ workbench/model_scripts/pytorch_model/generated_model_script.py,sha256=PG9MbcJrWcOxS9kl4tAZqfCjDKxvZpG4LGbHyPBRsmo,26231
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+ workbench/model_scripts/uq_models/generated_model_script.py,sha256=TGel0KUZyUmJvBhEXh7unpqq4I8KV-NDeVU8gLvGlvQ,27194
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- workbench/model_scripts/xgb_model/generated_model_script.py,sha256=0S2WYCcgguGJ3vqiZe9y5CLuhrpHwIOoKVJBIphxQSQ,18129
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+ workbench/repl/workbench_shell.py,sha256=cbFaKaRyAJd79i8m6-3OIVK0f-W_wARwJbjxhqC11_s,22135
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- workbench/utils/model_utils.py,sha256=_Gjr318BkMT7hv9M3g7eBYsFluYVPzMjWjMrpNpqx3A,13921
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+ workbench/utils/model_utils.py,sha256=3hh4ZiZ58RZ8ahAGxz2BcvPMj3mxYIDCOw-ZiBIPlCI,14029
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@@ -236,7 +238,7 @@ workbench/utils/workbench_cache.py,sha256=IQchxB81iR4eVggHBxUJdXxUCRkqWz1jKe5gxN
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  workbench/utils/workbench_event_bridge.py,sha256=z1GmXOB-Qs7VOgC6Hjnp2DI9nSEWepaSXejACxTIR7o,4150
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  workbench/utils/workbench_logging.py,sha256=WCuMWhQwibrvcGAyj96h2wowh6dH7zNlDJ7sWUzdCeI,10263
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  workbench/utils/workbench_sqs.py,sha256=RwM80z7YWwdtMaCKh7KWF8v38f7eBRU7kyC7ZhTRuI0,2072
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- workbench/utils/xgboost_model_utils.py,sha256=lm6XYnPImi3RyHyiJgl2o4HLJ63EghEdSbmwVRMctXg,22786
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+ workbench/utils/xgboost_model_utils.py,sha256=WXSDMt4Ae6ClihYanywzduMJ8FdaT_bWKS_1ut-Z28Q,24853
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  workbench/utils/chem_utils/__init__.py,sha256=47DEQpj8HBSa-_TImW-5JCeuQeRkm5NMpJWZG3hSuFU,0
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  workbench/utils/chem_utils/fingerprints.py,sha256=Qvs8jaUwguWUq3Q3j695MY0t0Wk3BvroW-oWBwalMUo,5255
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  workbench/utils/chem_utils/misc.py,sha256=Nevf8_opu-uIPrv_1_0ubuFVVo2_fGUkMoLAHB3XAeo,7372
@@ -254,7 +256,7 @@ workbench/web_interface/components/data_details_markdown.py,sha256=axDs6eXniglBm
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  workbench/web_interface/components/endpoint_metric_plots.py,sha256=H0cXuj9UQrrh_2JvRHtq7O8pMXFXKs7o9XpzySENylw,3441
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  workbench/web_interface/components/model_plot.py,sha256=Rojx_ZED4P9gvgeEsUm6xnwMNPoeOyn0evw45BWTITc,2536
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  workbench/web_interface/components/plugin_interface.py,sha256=jGRq4igUTVXUT4sDqqsKKI2yjilV0ORNBQq6CjEWE84,9563
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- workbench/web_interface/components/plugin_unit_test.py,sha256=UBZtGztLk2oJMDXfExfxkhHdmXr6ayv4NS0RpwGc8ro,7704
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+ workbench/web_interface/components/plugin_unit_test.py,sha256=Lx3HhIMHzrwDUYs2bADSFYzQq3sFHS9RyA415hyUOdc,7747
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  workbench/web_interface/components/regression_plot.py,sha256=k18Bd0fcH7ig6kL5GqC_dINci3_YLle_fSEM32zXtzY,3342
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  workbench/web_interface/components/violin_plots.py,sha256=3_T85hIs_R_WZpfFkSrqY2eYXmYzWsywDqsLhB7W1RQ,5320
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  workbench/web_interface/components/experiments/dashboard_metric_plots.py,sha256=DPIw13tO9XOGxA6IeRPLgl-C3XUJ2N287JkSEg73Rjg,2984
@@ -267,7 +269,7 @@ workbench/web_interface/components/plugins/endpoint_details.py,sha256=0A7g_Lx5-3
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  workbench/web_interface/components/plugins/generated_compounds.py,sha256=A6JGlkl7buZUugPK21YgufVFDRoGlHJowaqf8PAmz_s,8056
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  workbench/web_interface/components/plugins/graph_plot.py,sha256=JFzuSH_CkEmlaLAgFpzmiEpS3sXov0ycnCfP0VLsK2g,14502
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  workbench/web_interface/components/plugins/license_details.py,sha256=UyMSBGxEgdp3m9szDkDUAl_Ua8C5a4RNMdYpYCx354M,5497
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- workbench/web_interface/components/plugins/model_details.py,sha256=S5J7LmN39F-oWbPQjndv0T3XKEKLDm6pz3JY4274O2M,10468
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+ workbench/web_interface/components/plugins/model_details.py,sha256=FiEFw3KJkbJ5igUotYbHLSeI0BEi7-umoLdvRapR2BI,10243
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  workbench/web_interface/components/plugins/molecule_panel.py,sha256=xGCEI5af8F5lNId5eKUpetdQs_ahnIPdW6U7wKvbz2o,3515
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  workbench/web_interface/components/plugins/molecule_viewer.py,sha256=xavixcu4RNzh6Nj_-3-XlK09DgpNx5jGmo3wEPNftiE,4529
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  workbench/web_interface/components/plugins/pipeline_details.py,sha256=caiFIakHk-1dGGNW7wlio2X7iAm2_tCNbSjDzoRWGEk,5534
@@ -281,9 +283,9 @@ workbench/web_interface/page_views/main_page.py,sha256=X4-KyGTKLAdxR-Zk2niuLJB2Y
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  workbench/web_interface/page_views/models_page_view.py,sha256=M0bdC7bAzLyIaE2jviY12FF4abdMFZmg6sFuOY_LaGI,2650
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  workbench/web_interface/page_views/page_view.py,sha256=Gh6YnpOGlUejx-bHZAf5pzqoQ1H1R0OSwOpGhOBO06w,455
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  workbench/web_interface/page_views/pipelines_page_view.py,sha256=v2pxrIbsHBcYiblfius3JK766NZ7ciD2yPx0t3E5IJo,2656
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- workbench-0.8.193.dist-info/licenses/LICENSE,sha256=RTBoTMeEwTgEhS-n8vgQ-VUo5qig0PWVd8xFPKU6Lck,1080
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- workbench-0.8.193.dist-info/METADATA,sha256=vW41RDdu0YekBKST6qabwNkGWXpcDgXaqPhk0YvolRU,10495
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- workbench-0.8.193.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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- workbench-0.8.193.dist-info/entry_points.txt,sha256=o7ohD4D2oygnHp7i9-C0LfcHDuPW5Tv0JXGAg97DpGk,413
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- workbench-0.8.193.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
289
- workbench-0.8.193.dist-info/RECORD,,
286
+ workbench-0.8.197.dist-info/licenses/LICENSE,sha256=RTBoTMeEwTgEhS-n8vgQ-VUo5qig0PWVd8xFPKU6Lck,1080
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+ workbench-0.8.197.dist-info/METADATA,sha256=SBIr8UPVmyTRIItzlTYkNqGDk1zxXLLEb4XpbyO7bn0,10495
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+ workbench-0.8.197.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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+ workbench-0.8.197.dist-info/entry_points.txt,sha256=o7ohD4D2oygnHp7i9-C0LfcHDuPW5Tv0JXGAg97DpGk,413
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+ workbench-0.8.197.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
291
+ workbench-0.8.197.dist-info/RECORD,,