@datagrok/eda 1.4.12 → 1.5.0

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 (103) hide show
  1. package/.eslintrc.json +0 -1
  2. package/CHANGELOG.md +10 -0
  3. package/CLAUDE.md +185 -0
  4. package/css/pmpo.css +9 -0
  5. package/dist/111.js +1 -1
  6. package/dist/111.js.map +1 -1
  7. package/dist/128.js +1 -1
  8. package/dist/128.js.map +1 -1
  9. package/dist/153.js +1 -1
  10. package/dist/153.js.map +1 -1
  11. package/dist/23.js +1 -1
  12. package/dist/23.js.map +1 -1
  13. package/dist/234.js +1 -1
  14. package/dist/234.js.map +1 -1
  15. package/dist/242.js +1 -1
  16. package/dist/242.js.map +1 -1
  17. package/dist/260.js +1 -1
  18. package/dist/260.js.map +1 -1
  19. package/dist/33.js +1 -1
  20. package/dist/33.js.map +1 -1
  21. package/dist/348.js +1 -1
  22. package/dist/348.js.map +1 -1
  23. package/dist/377.js +1 -1
  24. package/dist/377.js.map +1 -1
  25. package/dist/397.js +2 -0
  26. package/dist/397.js.map +1 -0
  27. package/dist/412.js +1 -1
  28. package/dist/412.js.map +1 -1
  29. package/dist/415.js +1 -1
  30. package/dist/415.js.map +1 -1
  31. package/dist/501.js +1 -1
  32. package/dist/501.js.map +1 -1
  33. package/dist/531.js +1 -1
  34. package/dist/531.js.map +1 -1
  35. package/dist/583.js +1 -1
  36. package/dist/583.js.map +1 -1
  37. package/dist/589.js +1 -1
  38. package/dist/589.js.map +1 -1
  39. package/dist/603.js +1 -1
  40. package/dist/603.js.map +1 -1
  41. package/dist/656.js +1 -1
  42. package/dist/656.js.map +1 -1
  43. package/dist/682.js +1 -1
  44. package/dist/682.js.map +1 -1
  45. package/dist/705.js +1 -1
  46. package/dist/705.js.map +1 -1
  47. package/dist/727.js +1 -1
  48. package/dist/727.js.map +1 -1
  49. package/dist/731.js +1 -1
  50. package/dist/731.js.map +1 -1
  51. package/dist/738.js +1 -1
  52. package/dist/738.js.map +1 -1
  53. package/dist/763.js +1 -1
  54. package/dist/763.js.map +1 -1
  55. package/dist/778.js +1 -1
  56. package/dist/778.js.map +1 -1
  57. package/dist/783.js +1 -1
  58. package/dist/783.js.map +1 -1
  59. package/dist/793.js +1 -1
  60. package/dist/793.js.map +1 -1
  61. package/dist/810.js +1 -1
  62. package/dist/810.js.map +1 -1
  63. package/dist/860.js +1 -1
  64. package/dist/860.js.map +1 -1
  65. package/dist/907.js +1 -1
  66. package/dist/907.js.map +1 -1
  67. package/dist/950.js +1 -1
  68. package/dist/950.js.map +1 -1
  69. package/dist/980.js +1 -1
  70. package/dist/980.js.map +1 -1
  71. package/dist/990.js +1 -1
  72. package/dist/990.js.map +1 -1
  73. package/dist/package-test.js +1 -1
  74. package/dist/package-test.js.map +1 -1
  75. package/dist/package.js +1 -1
  76. package/dist/package.js.map +1 -1
  77. package/eslintrc.json +0 -1
  78. package/files/drugs-props-train-scores.csv +664 -0
  79. package/package.json +11 -7
  80. package/src/package-api.ts +7 -3
  81. package/src/package-test.ts +4 -1
  82. package/src/package.g.ts +21 -9
  83. package/src/package.ts +33 -23
  84. package/src/pareto-optimization/pareto-computations.ts +6 -0
  85. package/src/pareto-optimization/pareto-optimizer.ts +1 -1
  86. package/src/pls/pls-constants.ts +3 -1
  87. package/src/pls/pls-tools.ts +73 -69
  88. package/src/probabilistic-scoring/data-generator.ts +202 -0
  89. package/src/probabilistic-scoring/nelder-mead.ts +204 -0
  90. package/src/probabilistic-scoring/pmpo-defs.ts +141 -3
  91. package/src/probabilistic-scoring/pmpo-utils.ts +240 -126
  92. package/src/probabilistic-scoring/prob-scoring.ts +862 -135
  93. package/src/probabilistic-scoring/stat-tools.ts +141 -6
  94. package/src/tests/anova-tests.ts +1 -1
  95. package/src/tests/classifiers-tests.ts +1 -1
  96. package/src/tests/dim-reduction-tests.ts +1 -1
  97. package/src/tests/linear-methods-tests.ts +1 -1
  98. package/src/tests/mis-vals-imputation-tests.ts +1 -1
  99. package/src/tests/pareto-tests.ts +251 -0
  100. package/src/tests/pmpo-tests.ts +797 -0
  101. package/test-console-output-1.log +303 -239
  102. package/test-record-1.mp4 +0 -0
  103. package/files/mpo-done.ipynb +0 -2123
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- CONSOLE LOG ENTRY: distances to matrix: 15.921875 ms
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- CONSOLE LOG ENTRY: distances to matrix: 35.132080078125 ms
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- CONSOLE LOG ENTRY: Finished Dimensionality reduction: T-SNE Numeric and string columns for 1502 ms
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- CONSOLE LOG ENTRY: --------------------
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- CONSOLE LOG ENTRY: Started Dimensionality reduction: T-SNE category
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- CONSOLE LOG ENTRY: distances to matrix: 19.68505859375 ms
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- CONSOLE LOG ENTRY: distances to matrix: 20.2158203125 ms
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- CONSOLE LOG ENTRY: Started Dimensionality reduction: UMAP All demog columns
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- CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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- CONSOLE LOG ENTRY: knn graph: 74.40283203125 ms
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- CONSOLE LOG ENTRY: fit: 3886.34619140625 ms
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- CONSOLE LOG ENTRY: Finished Dimensionality reduction: UMAP All demog columns for 5291 ms
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- CONSOLE LOG ENTRY: knn graph: 47.72412109375 ms
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- CONSOLE LOG ENTRY: fit: 2789.14306640625 ms
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- CONSOLE LOG ENTRY: Finished Dimensionality reduction: UMAP Numeric and string columns for 4225 ms
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+ CONSOLE LOG ENTRY: fit: 4555.514892578125 ms
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+ CONSOLE LOG ENTRY: knn graph: 90.797119140625 ms
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-colors-sizes-markers-labels-thumb.png
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  CONSOLE LOG REQUEST: 404, http://localhost:8080/uploads/youtube/visualizations2.png
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  CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-zoom-and-pack-thumb.png
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/%7Brequire('./img/formula-lines-thumb.png').default%7D
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/group-tooltip-thumb.png
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/help/visualize/viewers/img/scatterplot-custom-tooltip-thumb.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-labels-thumb.png
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-jitter-thumb.png
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-lines.png
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/uploads/viewers/scatter-plot-molecules.png
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/webgpu-scatterplot-thumb.png
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- CONSOLE LOG ENTRY: knn graph: 33.509033203125 ms
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/datagrok.md
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/concepts/table.md
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- CONSOLE LOG ENTRY: fit: 2949.89599609375 ms
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- CONSOLE LOG ENTRY: Finished Dimensionality reduction: UMAP Numeric column for 4358 ms
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+ CONSOLE LOG ENTRY: fit: 2843.3798828125 ms
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/scatter-plot.md
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/%7Brequire('./img/formula-lines-thumb.png').default%7D
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/uploads/youtube/visualizations2.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/help/visualize/viewers/img/scatterplot-custom-tooltip-thumb.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/datagrok.md
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/concepts/table.md
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
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- CONSOLE LOG ENTRY: JSHandle@object
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- CONSOLE LOG ENTRY: Started Dimensionality reduction: UMAP category
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- CONSOLE LOG ENTRY: O false
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/scatter-plot.md
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/%7Brequire('./img/formula-lines-thumb.png').default%7D
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/help/visualize/viewers/img/scatterplot-custom-tooltip-thumb.png
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  CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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  CONSOLE LOG REQUEST: 404, http://localhost:8080/uploads/youtube/visualizations2.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG ENTRY: distances to matrix: 27.0419921875 ms
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/datagrok.md
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/scatter-plot.md
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/%7Brequire('./img/formula-lines-thumb.png').default%7D
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-colors-sizes-markers-labels-thumb.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-zoom-and-pack-thumb.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-selection-thumb.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-regression-line.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/group-tooltip-thumb.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-labels-thumb.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-jitter-thumb.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/scatter-plot-lines.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/uploads/viewers/scatter-plot-molecules.png
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/img/webgpu-scatterplot-thumb.png
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- CONSOLE LOG ENTRY: knn graph: 94.2939453125 ms
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- CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/concepts/table.md
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- CONSOLE LOG ENTRY: fit: 4225.9560546875 ms
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- CONSOLE LOG ENTRY: Finished Dimensionality reduction: UMAP String column for 5704 ms
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/uploads/youtube/visualizations2.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/help/visualize/viewers/img/scatterplot-custom-tooltip-thumb.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG ENTRY: distances to matrix: 24.860107421875 ms
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/datagrok.md
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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+ CONSOLE LOG ENTRY: Package testing: Started {{Dimensionality reduction: T-SNE}} {{Numeric and string columns}}
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/scatter-plot.md
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/%7Brequire('./img/formula-lines-thumb.png').default%7D
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/uploads/youtube/visualizations2.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/help/visualize/viewers/img/scatterplot-custom-tooltip-thumb.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG ENTRY: distances to matrix: 26.244140625 ms
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/datagrok.md
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200
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
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- CONSOLE LOG ENTRY: Running tests
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/scatter-plot.md
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/visualize/viewers/%7Brequire('./img/formula-lines-thumb.png').default%7D
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+ CONSOLE LOG REQUEST: 404, http://localhost:8080/uploads/youtube/visualizations2.png
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
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+ CONSOLE LOG ENTRY: Failed to load resource: the server responded with a status of 404 (Not Found)
142
+ CONSOLE LOG ENTRY: distances to matrix: 20.47998046875 ms
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/help/datagrok/datagrok.md
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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+ CONSOLE LOG ENTRY: Package testing: Started {{Principal component analysis}}
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
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- CONSOLE LOG ENTRY: Running tests
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
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- CONSOLE LOG ENTRY: Running tests
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- CONSOLE LOG ENTRY: JSHandle@object
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- CONSOLE LOG ENTRY: O false
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
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- CONSOLE LOG ENTRY: Running tests
239
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240
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241
- CONSOLE LOG ENTRY: O false
242
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243
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170
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171
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244
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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174
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175
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
247
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248
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249
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250
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251
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252
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177
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178
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253
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
180
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181
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182
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254
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
255
- CONSOLE LOG ENTRY: --------------------
256
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257
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258
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259
- CONSOLE LOG ENTRY: O false
260
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261
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184
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185
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262
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
187
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188
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189
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
264
- CONSOLE LOG ENTRY: --------------------
265
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266
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267
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268
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269
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270
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191
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192
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271
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
194
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195
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196
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272
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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- CONSOLE LOG ENTRY: --------------------
274
- CONSOLE LOG ENTRY: Running tests
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276
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277
- CONSOLE LOG ENTRY: O false
278
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279
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198
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199
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280
200
  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
201
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202
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203
+ CONSOLE LOG REQUEST: 200, http://localhost:8080/api/connectors/connections/System.AppData/file/Eda%2Fdrugs-props-train.csv?&&flag=3
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+ CONSOLE LOG REQUEST: 200, http://localhost:8080/api/connectors/connections/System.AppData/file/Eda%2Fdrugs-props-train-scores.csv?&&flag=3
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
282
- CONSOLE LOG ENTRY: --------------------
283
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284
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285
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286
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287
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288
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207
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208
+ CONSOLE LOG REQUEST: 200, http://localhost:8080/api/connectors/connections/System.AppData/file/Eda%2Fdrugs-props-train.csv?&&flag=3
209
+ CONSOLE LOG REQUEST: 200, http://localhost:8080/api/connectors/connections/System.AppData/file/Eda%2Fdrugs-props-train-scores.csv?&&flag=3
210
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289
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
212
+ CONSOLE LOG ENTRY: Package testing: Started {{Probabilistic MPO: Computation}} {{Performance: 100K drugs, 12 descriptors}}
213
+ CONSOLE LOG REQUEST: 200, http://localhost:8080/api/connectors/connections/System.AppData/file/Eda%2Fdrugs-props-train.csv?&&flag=3
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290
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
291
- CONSOLE LOG ENTRY: --------------------
292
- CONSOLE LOG ENTRY: Running tests
293
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294
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295
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296
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297
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216
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217
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218
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298
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
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+ CONSOLE LOG ENTRY: Package testing: Started {{Probabilistic MPO: API}} {{isApplicable: rejects R² below minimum}}
221
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299
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  CONSOLE LOG REQUEST: 200, http://localhost:8080/api/log/tests/package?benchmark=false&ciCd=false
300
- CONSOLE LOG ENTRY: --------------------
301
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