chebai 0.0.2.dev0__tar.gz → 1.0.0__tar.gz

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 (98) hide show
  1. {chebai-0.0.2.dev0 → chebai-1.0.0}/PKG-INFO +2 -2
  2. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/PKG-INFO +2 -2
  3. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/requires.txt +1 -1
  4. {chebai-0.0.2.dev0 → chebai-1.0.0}/setup.py +2 -2
  5. {chebai-0.0.2.dev0 → chebai-1.0.0}/LICENSE +0 -0
  6. {chebai-0.0.2.dev0 → chebai-1.0.0}/README.md +0 -0
  7. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/__init__.py +0 -0
  8. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/__main__.py +0 -0
  9. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/callbacks/__init__.py +0 -0
  10. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/callbacks/epoch_metrics.py +0 -0
  11. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/callbacks/model_checkpoint.py +0 -0
  12. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/callbacks/prediction_callback.py +0 -0
  13. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/callbacks.py +0 -0
  14. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/cli.py +0 -0
  15. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loggers/__init__.py +0 -0
  16. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loggers/custom.py +0 -0
  17. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loss/__init__.py +0 -0
  18. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loss/bce_weighted.py +0 -0
  19. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loss/mixed.py +0 -0
  20. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loss/pretraining.py +0 -0
  21. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loss/semantic.py +0 -0
  22. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/__init__.py +0 -0
  23. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/base.py +0 -0
  24. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/chemberta.py +0 -0
  25. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/chemyk.py +0 -0
  26. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/electra.py +0 -0
  27. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/external/__init__.py +0 -0
  28. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/ffn.py +0 -0
  29. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/lnn_model.py +0 -0
  30. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/lstm.py +0 -0
  31. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/recursive.py +0 -0
  32. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/strontex.py +0 -0
  33. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/molecule.py +0 -0
  34. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/__init__.py +0 -0
  35. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/BPE_SWJ/merges.txt +0 -0
  36. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/BPE_SWJ/vocab.json +0 -0
  37. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/deepsmiles_token/tokens.txt +0 -0
  38. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/graph/tokens.txt +0 -0
  39. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/graph_properties/tokens.txt +0 -0
  40. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/selfies/tokens.txt +0 -0
  41. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/smiles_token/tokens.txt +0 -0
  42. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/bin/smiles_token_unlabeled/tokens.txt +0 -0
  43. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/collate.py +0 -0
  44. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/collect_all.py +0 -0
  45. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/datasets/__init__.py +0 -0
  46. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/datasets/base.py +0 -0
  47. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/datasets/chebi.py +0 -0
  48. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/datasets/pubchem.py +0 -0
  49. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/datasets/tox21.py +0 -0
  50. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/migration/__init__.py +0 -0
  51. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/migration/chebi_data_migration.py +0 -0
  52. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/reader.py +0 -0
  53. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/preprocessing/structures.py +0 -0
  54. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/__init__.py +0 -0
  55. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/analyse_sem.py +0 -0
  56. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/base.py +0 -0
  57. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/classification.py +0 -0
  58. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/evaluate_predictions.py +0 -0
  59. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/molplot.py +0 -0
  60. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/prediction_json.py +0 -0
  61. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/pretraining.py +0 -0
  62. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/result/utils.py +0 -0
  63. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/train.py +0 -0
  64. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/trainer/CustomTrainer.py +0 -0
  65. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/trainer/__init__.py +0 -0
  66. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/SOURCES.txt +0 -0
  67. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/dependency_links.txt +0 -0
  68. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/not-zip-safe +0 -0
  69. {chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/top_level.txt +0 -0
  70. {chebai-0.0.2.dev0 → chebai-1.0.0}/setup.cfg +0 -0
  71. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/__init__.py +0 -0
  72. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/__init__.py +0 -0
  73. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/testChebiData.py +0 -0
  74. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/testChebiDynamicDataSplits.py +0 -0
  75. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/testCustomBalancedAccuracyMetric.py +0 -0
  76. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/testCustomMacroF1Metric.py +0 -0
  77. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/testPubChemData.py +0 -0
  78. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/integration/testTox21MolNetData.py +0 -0
  79. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/__init__.py +0 -0
  80. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/collators/__init__.py +0 -0
  81. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/collators/testDefaultCollator.py +0 -0
  82. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/collators/testRaggedCollator.py +0 -0
  83. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/__init__.py +0 -0
  84. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testChEBIOverX.py +0 -0
  85. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testChebiDataExtractor.py +0 -0
  86. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testChebiOverXPartial.py +0 -0
  87. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testChebiTermCallback.py +0 -0
  88. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testDynamicDataset.py +0 -0
  89. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testTox21Challenge.py +0 -0
  90. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/dataset_classes/testXYBaseDataModule.py +0 -0
  91. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/mock_data/__init__.py +0 -0
  92. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/mock_data/ontology_mock_data.py +0 -0
  93. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/mock_data/tox_mock_data.py +0 -0
  94. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/readers/__init__.py +0 -0
  95. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/readers/testChemDataReader.py +0 -0
  96. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/readers/testDataReader.py +0 -0
  97. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/readers/testDeepChemDataReader.py +0 -0
  98. {chebai-0.0.2.dev0 → chebai-1.0.0}/tests/unit/readers/testSelfiesReader.py +0 -0
{chebai-0.0.2.dev0 → chebai-1.0.0}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: chebai
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- Version: 0.0.2.dev0
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+ Version: 1.0.0
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  Home-page:
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  Author: MGlauer
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  Author-email: martin.glauer@ovgu.de
@@ -10,7 +10,7 @@ Requires-Dist: certifi
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  Requires-Dist: idna
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  Requires-Dist: joblib
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  Requires-Dist: networkx
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- Requires-Dist: numpy<2
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+ Requires-Dist: numpy
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  Requires-Dist: pandas
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  Requires-Dist: python-dateutil
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  Requires-Dist: pytz
{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.4
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  Name: chebai
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- Version: 0.0.2.dev0
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+ Version: 1.0.0
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  Home-page:
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  Author: MGlauer
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  Author-email: martin.glauer@ovgu.de
@@ -10,7 +10,7 @@ Requires-Dist: certifi
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  Requires-Dist: idna
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  Requires-Dist: joblib
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  Requires-Dist: networkx
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- Requires-Dist: numpy<2
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+ Requires-Dist: numpy
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  Requires-Dist: pandas
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  Requires-Dist: python-dateutil
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  Requires-Dist: pytz
{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai.egg-info/requires.txt RENAMED
@@ -2,7 +2,7 @@ certifi
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  idna
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  joblib
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  networkx
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- numpy<2
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+ numpy
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  pandas
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  python-dateutil
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  pytz
{chebai-0.0.2.dev0 → chebai-1.0.0}/setup.py RENAMED
@@ -4,7 +4,7 @@ packages = find_packages()
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  print(packages)
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  setup(
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  name="chebai",
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- version="0.0.2.dev0",
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+ version="1.0.0",
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  packages=packages,
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  package_data={"": ["**/*.txt", "**/*.json"]},
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  include_package_data=True,
@@ -20,7 +20,7 @@ setup(
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  "idna",
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  "joblib",
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  "networkx",
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- "numpy<2",
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+ "numpy",
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  "pandas",
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  "python-dateutil",
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  "pytz",
{chebai-0.0.2.dev0 → chebai-1.0.0}/LICENSE RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/README.md RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/__init__.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/__main__.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/callbacks.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/cli.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/loss/mixed.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/models/ffn.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/molecule.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/chebai/train.py RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/setup.cfg RENAMED
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{chebai-0.0.2.dev0 → chebai-1.0.0}/tests/__init__.py RENAMED
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