workbench 0.8.219__py3-none-any.whl → 0.8.231__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 (73) hide show
  1. workbench/__init__.py +1 -0
  2. workbench/algorithms/dataframe/__init__.py +2 -0
  3. workbench/algorithms/dataframe/compound_dataset_overlap.py +321 -0
  4. workbench/algorithms/dataframe/fingerprint_proximity.py +190 -31
  5. workbench/algorithms/dataframe/projection_2d.py +8 -2
  6. workbench/algorithms/dataframe/proximity.py +3 -0
  7. workbench/algorithms/dataframe/smart_aggregator.py +161 -0
  8. workbench/algorithms/sql/column_stats.py +0 -1
  9. workbench/algorithms/sql/correlations.py +0 -1
  10. workbench/algorithms/sql/descriptive_stats.py +0 -1
  11. workbench/api/feature_set.py +0 -1
  12. workbench/api/meta.py +0 -1
  13. workbench/cached/cached_meta.py +0 -1
  14. workbench/cached/cached_model.py +37 -7
  15. workbench/core/artifacts/endpoint_core.py +12 -2
  16. workbench/core/artifacts/feature_set_core.py +238 -225
  17. workbench/core/cloud_platform/cloud_meta.py +0 -1
  18. workbench/core/transforms/features_to_model/features_to_model.py +2 -8
  19. workbench/core/transforms/model_to_endpoint/model_to_endpoint.py +2 -0
  20. workbench/model_script_utils/model_script_utils.py +30 -0
  21. workbench/model_script_utils/uq_harness.py +0 -1
  22. workbench/model_scripts/chemprop/chemprop.template +196 -68
  23. workbench/model_scripts/chemprop/generated_model_script.py +197 -72
  24. workbench/model_scripts/chemprop/model_script_utils.py +30 -0
  25. workbench/model_scripts/custom_models/chem_info/mol_descriptors.py +0 -1
  26. workbench/model_scripts/custom_models/chem_info/molecular_descriptors.py +0 -1
  27. workbench/model_scripts/custom_models/chem_info/morgan_fingerprints.py +0 -1
  28. workbench/model_scripts/pytorch_model/generated_model_script.py +52 -34
  29. workbench/model_scripts/pytorch_model/model_script_utils.py +30 -0
  30. workbench/model_scripts/pytorch_model/pytorch.template +47 -29
  31. workbench/model_scripts/pytorch_model/uq_harness.py +0 -1
  32. workbench/model_scripts/script_generation.py +0 -1
  33. workbench/model_scripts/xgb_model/generated_model_script.py +3 -3
  34. workbench/model_scripts/xgb_model/model_script_utils.py +30 -0
  35. workbench/model_scripts/xgb_model/uq_harness.py +0 -1
  36. workbench/scripts/ml_pipeline_sqs.py +71 -2
  37. workbench/themes/dark/custom.css +85 -8
  38. workbench/themes/dark/plotly.json +6 -6
  39. workbench/themes/light/custom.css +172 -64
  40. workbench/themes/light/plotly.json +9 -9
  41. workbench/themes/midnight_blue/custom.css +82 -29
  42. workbench/themes/midnight_blue/plotly.json +1 -1
  43. workbench/utils/aws_utils.py +0 -1
  44. workbench/utils/chem_utils/mol_descriptors.py +0 -1
  45. workbench/utils/chem_utils/projections.py +16 -6
  46. workbench/utils/chem_utils/vis.py +137 -27
  47. workbench/utils/clientside_callbacks.py +41 -0
  48. workbench/utils/markdown_utils.py +57 -0
  49. workbench/utils/model_utils.py +0 -1
  50. workbench/utils/pipeline_utils.py +0 -1
  51. workbench/utils/plot_utils.py +52 -36
  52. workbench/utils/theme_manager.py +95 -30
  53. workbench/web_interface/components/experiments/outlier_plot.py +0 -1
  54. workbench/web_interface/components/model_plot.py +2 -0
  55. workbench/web_interface/components/plugin_unit_test.py +0 -1
  56. workbench/web_interface/components/plugins/ag_table.py +2 -4
  57. workbench/web_interface/components/plugins/confusion_matrix.py +3 -6
  58. workbench/web_interface/components/plugins/model_details.py +10 -6
  59. workbench/web_interface/components/plugins/scatter_plot.py +184 -85
  60. workbench/web_interface/components/settings_menu.py +185 -0
  61. workbench/web_interface/page_views/main_page.py +0 -1
  62. {workbench-0.8.219.dist-info → workbench-0.8.231.dist-info}/METADATA +34 -41
  63. {workbench-0.8.219.dist-info → workbench-0.8.231.dist-info}/RECORD +67 -69
  64. {workbench-0.8.219.dist-info → workbench-0.8.231.dist-info}/WHEEL +1 -1
  65. workbench/themes/quartz/base_css.url +0 -1
  66. workbench/themes/quartz/custom.css +0 -117
  67. workbench/themes/quartz/plotly.json +0 -642
  68. workbench/themes/quartz_dark/base_css.url +0 -1
  69. workbench/themes/quartz_dark/custom.css +0 -131
  70. workbench/themes/quartz_dark/plotly.json +0 -642
  71. {workbench-0.8.219.dist-info → workbench-0.8.231.dist-info}/entry_points.txt +0 -0
  72. {workbench-0.8.219.dist-info → workbench-0.8.231.dist-info}/licenses/LICENSE +0 -0
  73. {workbench-0.8.219.dist-info → workbench-0.8.231.dist-info}/top_level.txt +0 -0
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558
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559
- "linecolor": "#506784",
560
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561
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- "zerolinecolor": "#C8D4E3"
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- },
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- "zaxis": {
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- "backgroundcolor": "rgb(17,17,17)",
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- "gridcolor": "#506784",
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- "showbackground": true,
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571
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- "caxis": {
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- "title": {
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- "x": 0.05
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- },
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- "updatemenudefaults": {
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- "borderwidth": 0
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- "xaxis": {
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- "automargin": true,
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- "gridcolor": "#7479c8",
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- "linecolor": "#506784",
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- "ticks": "",
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- "title": {
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- "standoff": 15
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- },
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- "zerolinecolor": "#7479c8",
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- },
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- "piecolorway": [
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- "#e72e84",
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- "#52e8b5",
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- "#ffef47",
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- "#21a4d3"
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- ]
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- }
642
- }
workbench/themes/quartz_dark/base_css.url DELETED
@@ -1 +0,0 @@
1
- dbc.themes.QUARTZ