workbench 0.8.219__py3-none-any.whl → 0.8.224__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/compound_dataset_overlap.py +321 -0
- workbench/algorithms/dataframe/fingerprint_proximity.py +190 -31
- workbench/algorithms/dataframe/projection_2d.py +8 -2
- workbench/algorithms/dataframe/proximity.py +3 -0
- workbench/api/feature_set.py +0 -1
- workbench/core/artifacts/feature_set_core.py +183 -228
- workbench/core/transforms/features_to_model/features_to_model.py +2 -8
- workbench/core/transforms/model_to_endpoint/model_to_endpoint.py +2 -0
- workbench/model_scripts/chemprop/chemprop.template +193 -68
- workbench/model_scripts/chemprop/generated_model_script.py +198 -73
- workbench/model_scripts/pytorch_model/generated_model_script.py +3 -3
- workbench/model_scripts/xgb_model/generated_model_script.py +3 -3
- workbench/scripts/ml_pipeline_sqs.py +71 -2
- workbench/themes/light/custom.css +7 -1
- workbench/themes/midnight_blue/custom.css +34 -0
- workbench/utils/chem_utils/projections.py +16 -6
- workbench/utils/model_utils.py +0 -1
- workbench/utils/plot_utils.py +146 -28
- workbench/utils/theme_manager.py +95 -30
- workbench/web_interface/components/plugins/scatter_plot.py +152 -66
- workbench/web_interface/components/settings_menu.py +184 -0
- {workbench-0.8.219.dist-info → workbench-0.8.224.dist-info}/METADATA +4 -13
- {workbench-0.8.219.dist-info → workbench-0.8.224.dist-info}/RECORD +27 -25
- {workbench-0.8.219.dist-info → workbench-0.8.224.dist-info}/WHEEL +0 -0
- {workbench-0.8.219.dist-info → workbench-0.8.224.dist-info}/entry_points.txt +0 -0
- {workbench-0.8.219.dist-info → workbench-0.8.224.dist-info}/licenses/LICENSE +0 -0
- {workbench-0.8.219.dist-info → workbench-0.8.224.dist-info}/top_level.txt +0 -0
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@@ -2,11 +2,12 @@ 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=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=FYsQd5Lf5CrSWi-1Dcs_NVFN86izifxkWk1-EOvEV54,6950
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workbench/algorithms/dataframe/fingerprint_proximity.py,sha256=
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workbench/algorithms/dataframe/projection_2d.py,sha256=
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workbench/algorithms/dataframe/proximity.py,sha256=
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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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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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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=tvPINPv_EFwphuZ3tv09jwO6dee-DRH371ZzXrrUxfM,3897
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workbench/api/feature_set.py,sha256
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workbench/api/feature_set.py,sha256=-21ztp7JDqs7CKF3KtNdPoXppkiDqfb4JVK8xBK9rIY,10966
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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/meta_model.py,sha256=2DpjjBSw60QPMWQ2sTu2492PrFWFMXK8hH9U13gXzi8,11226
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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=fLOxgwNmbsrOpKafXN8zLCzazKdpJQZr2zanKJ14KRc,54057
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workbench/core/artifacts/model_core.py,sha256=wPkpdRlxnAXMqsDtJGPotGFO146Hm7NCfYbImHwZo9c,52343
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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/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=stTOKAh_OJaI4ao6G8GRECa78sViaJXBzwt9myK5joM,20892
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workbench/core/transforms/model_to_endpoint/model_to_endpoint.py,sha256=MGsc-pRNxTpDQz8i3DmYCIAAVyZOKmWBDFmkQHt2h4Y,8152
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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/transforms/pandas_transforms/features_to_pandas.py,sha256=af6xdPt2V4zhh-SzQa_UYxdmNMzMLXbrbsznV5QoIJg,3441
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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=w3L2VYGnGUvBtd01BWzH38DuHKULtYsc_Xz_3_Eavvo,8258
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workbench/model_scripts/chemprop/chemprop.template,sha256=0d_7Pmna6UCR1lyx6cdXnP9eC_sSXW9dOqXx-5W0MX4,35814
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workbench/model_scripts/chemprop/generated_model_script.py,sha256=j-XxQ0qLDQpWykAkuv4p2hmFxedriL30muw6pOc2W-c,36003
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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/pytorch_model/generated_model_script.py,sha256=FEpTjCDSbw-xAqLNGXas90KsN2-h7qs78nc24VNeBx8,25348
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workbench/model_scripts/uq_models/generated_model_script.py,sha256=kgcIWghY6eazcBWS77MukhQUyYFmfJcS8SQ8RmjM82I,9006
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workbench/model_scripts/xgb_model/generated_model_script.py,sha256=ENLuKqbRAVrqNymtcrJcYSm1eE4KUgU-oZN4PMalOZg,22647
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workbench/scripts/ml_pipeline_batch.py,sha256=1T5JnLlUJR7bwAGBLHmLPOuj1xFRqVIQX8PsuDhHy8o,4907
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workbench/scripts/ml_pipeline_sqs.py,sha256=s9V7l4dogEYXtTyNFsgYMDiZoPnG3Zq3ITcVDGoyH8g,8703
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workbench/scripts/monitor_cloud_watch.py,sha256=s7MY4bsHts0nup9G0lWESCvgJZ9Mw1Eo-c8aKRgLjMw,9235
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workbench/utils/chem_utils/salts.py,sha256=ZzFb6Z71Z_kMjVF-PKwHx0fn9pN9rPMj-oEY8Nt5JWA,9095
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workbench/utils/chem_utils/sdf.py,sha256=wucyMtnmdg6onBa5N_sX6ONDE4PThJokImFxCBk22RI,10319
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workbench/utils/chem_utils/toxicity.py,sha256=OmVvR05XjP8rLteQ0gjlC5tRh3WitjoahPnSLPhbUXQ,10195
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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/settings_menu.py,sha256=JHh7kfLtpkWCVQMdcKU_Qby3GMJ5GoOQrZOhbEiN-Fw,6609
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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
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workbench/web_interface/components/experiments/outlier_plot.py,sha256=5bWsmJEXyt50npeQxLHXCPtiq4WRVgg938Sl0DVjNWg,3647
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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
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workbench/web_interface/components/plugins/proximity_mini_graph.py,sha256=b_YYnvLczJUhaDbrrXnyjUDYF7C4R4ufCZXtJiyRnJ0,7233
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workbench/web_interface/components/plugins/scatter_plot.py,sha256=quF4oVUsuVOnqQk7_ix-JIZD4LkpI8IeSvSIeNCLSZQ,22582
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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
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workbench/web_interface/page_views/endpoints_page_view.py,sha256=EI3hA18pEn-mAPEzGAw0W-wM8qJR2j_8pQEJlbJCENk,2770
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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-0.8.224.dist-info/licenses/LICENSE,sha256=RTBoTMeEwTgEhS-n8vgQ-VUo5qig0PWVd8xFPKU6Lck,1080
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workbench-0.8.224.dist-info/METADATA,sha256=cVbRbeJqtXHvwRmb4XQnTCyMGJGRHQL2hWhTSMZppLQ,10102
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workbench-0.8.224.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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workbench-0.8.224.dist-info/entry_points.txt,sha256=t_9tY7iYku9z96qFZZtUgbWDh_nHtehXxLPLBSpAzeM,566
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workbench-0.8.224.dist-info/top_level.txt,sha256=Dhy72zTxaA_o_yRkPZx5zw-fwumnjGaeGf0hBN3jc_w,10
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workbench-0.8.224.dist-info/RECORD,,
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