hjxdl 0.0.6__tar.gz → 0.0.6.dev1__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 (117) hide show
  1. {hjxdl-0.0.6/hjxdl.egg-info → hjxdl-0.0.6.dev1}/PKG-INFO +1 -1
  2. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/_version.py +2 -2
  3. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1/hjxdl.egg-info}/PKG-INFO +1 -1
  4. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/setup.py +0 -4
  5. hjxdl-0.0.6.dev1/version.txt +1 -0
  6. hjxdl-0.0.6/version.txt +0 -1
  7. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/.github/workflows/python-publish.yml +0 -0
  8. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/.gitignore +0 -0
  9. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/.gitmodules +0 -0
  10. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/MANIFEST.in +0 -0
  11. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/README.md +0 -0
  12. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/__init__.py +0 -0
  13. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/__init__.py +0 -0
  14. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/args/__init__.py +0 -0
  15. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/args/loss_args.py +0 -0
  16. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/__init__.py +0 -0
  17. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/al/__init__.py +0 -0
  18. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/al/al.py +0 -0
  19. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/al/dispatcher.py +0 -0
  20. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/al/feedback.py +0 -0
  21. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/explain/__init__.py +0 -0
  22. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/explain/shapley.py +0 -0
  23. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/explain/subgraphx.py +0 -0
  24. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/predictors/gin_predictor.py +0 -0
  25. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/predictors/rxn_predictor.py +0 -0
  26. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/predictors/torch_predictor.py +0 -0
  27. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/train/__init__.py +0 -0
  28. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/train/rxn_train.py +0 -0
  29. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/train/train.py +0 -0
  30. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/train/train_ginet.py +0 -0
  31. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/train/trainer_base.py +0 -0
  32. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/controllers/train/trainer_iterative.py +0 -0
  33. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/__init__.py +0 -0
  34. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/__init__.py +0 -0
  35. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/base_dataset.py +0 -0
  36. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/fp/__init__.py +0 -0
  37. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/fp/fp_dataset.py +0 -0
  38. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/graph/__init__.py +0 -0
  39. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/graph/chiral.py +0 -0
  40. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/graph/gin.py +0 -0
  41. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/graph/molnet.py +0 -0
  42. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/__init__.py +0 -0
  43. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/chiral_graph.py +0 -0
  44. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/collate_funcs/__init__.py +0 -0
  45. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/collate_funcs/fp.py +0 -0
  46. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/collate_funcs/rxn.py +0 -0
  47. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/general.py +0 -0
  48. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/loaders/spliter.py +0 -0
  49. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/samplers/__init__.py +0 -0
  50. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/samplers/chiral.py +0 -0
  51. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/seq/__init__.py +0 -0
  52. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/seq/rxn_dataset.py +0 -0
  53. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/dataset/utils.py +0 -0
  54. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/data/to_mols.py +0 -0
  55. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/__init__.py +0 -0
  56. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/fp/__init__.py +0 -0
  57. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/fp/features_generators.py +0 -0
  58. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/graph/__init__.py +0 -0
  59. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/graph/featurization.py +0 -0
  60. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/utils/__init__.py +0 -0
  61. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/utils/utils.py +0 -0
  62. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/features/vocab.txt +0 -0
  63. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/include/add2.h +0 -0
  64. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/kernel/add2_kernel.cu +0 -0
  65. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/kernel/test +0 -0
  66. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/kernel/test.cu +0 -0
  67. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/__init__.py +0 -0
  68. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/general/__init__.py +0 -0
  69. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/general/gp.py +0 -0
  70. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/general/linear.py +0 -0
  71. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/graph/__init__.py +0 -0
  72. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/graph/chiral_graph.py +0 -0
  73. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/graph/gcn.py +0 -0
  74. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/graph/gin.py +0 -0
  75. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/graph/tetra.py +0 -0
  76. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/graph/transformer.py +0 -0
  77. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/layers/sequential/__init__.py +0 -0
  78. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/metric_loss/__init__.py +0 -0
  79. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/metric_loss/loss.py +0 -0
  80. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/metric_loss/metric.py +0 -0
  81. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/metric_loss/multi_label.py +0 -0
  82. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/metric_loss/nt_xent.py +0 -0
  83. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/__init__.py +0 -0
  84. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/chiral_gnn.py +0 -0
  85. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/fast_transformer.py +0 -0
  86. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/ginet.py +0 -0
  87. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/linear.py +0 -0
  88. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/model_dict.py +0 -0
  89. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/norm_flows.py +0 -0
  90. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/optim_dict.py +0 -0
  91. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/rxn.py +0 -0
  92. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/models/utils.py +0 -0
  93. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/ops/__init__.py +0 -0
  94. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/ops/utils.py +0 -0
  95. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/optims/__init__.py +0 -0
  96. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/optims/nadam.py +0 -0
  97. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/pytorch/add2_ops.cpp +0 -0
  98. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/__init__.py +0 -0
  99. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/chemical_tools/__init__.py +0 -0
  100. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/chemical_tools/query_info.py +0 -0
  101. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/chemical_tools/sdf.py +0 -0
  102. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/database_tools/__init__.py +0 -0
  103. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/database_tools/connect.py +0 -0
  104. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/general/__init__.py +0 -0
  105. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/general/glob.py +0 -0
  106. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/llm/__init__.py +0 -0
  107. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/llm/chat.py +0 -0
  108. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/schedulers/__init__.py +0 -0
  109. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/utils/schedulers/norm_lr.py +0 -0
  110. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hjxdl.egg-info/SOURCES.txt +0 -0
  111. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hjxdl.egg-info/dependency_links.txt +0 -0
  112. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hjxdl.egg-info/requires.txt +0 -0
  113. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hjxdl.egg-info/top_level.txt +0 -0
  114. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/pyproject.toml +0 -0
  115. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/requirements.txt +0 -0
  116. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/setup.cfg +0 -0
  117. {hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/update_main.sh +0 -0
{hjxdl-0.0.6/hjxdl.egg-info → hjxdl-0.0.6.dev1}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: hjxdl
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- Version: 0.0.6
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+ Version: 0.0.6.dev1
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  Summary: A collection of functions for Jupyter notebooks
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  Home-page: https://github.com/huluxiaohuowa/hdl
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  Author: Jianxing Hu
{hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/hdl/_version.py RENAMED
@@ -12,5 +12,5 @@ __version__: str
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  __version_tuple__: VERSION_TUPLE
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  version_tuple: VERSION_TUPLE
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- __version__ = version = '0.0.6'
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- __version_tuple__ = version_tuple = (0, 0, 6)
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+ __version__ = version = '0.0.6.dev1'
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+ __version_tuple__ = version_tuple = (0, 0, 6, 'dev1')
{hjxdl-0.0.6 → hjxdl-0.0.6.dev1/hjxdl.egg-info}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
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  Metadata-Version: 2.1
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  Name: hjxdl
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- Version: 0.0.6
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+ Version: 0.0.6.dev1
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  Summary: A collection of functions for Jupyter notebooks
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  Home-page: https://github.com/huluxiaohuowa/hdl
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  Author: Jianxing Hu
{hjxdl-0.0.6 → hjxdl-0.0.6.dev1}/setup.py RENAMED
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  from setuptools import setup, find_packages
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  import setuptools_scm
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  def read_requirements():
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  """读取 requirements.txt 文件并返回依赖列表"""
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  with open('requirements.txt', 'r', encoding='utf-8') as file:
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  if line.strip() and not line.startswith('#')
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  ]
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  def custom_version_scheme(version):
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  """自定义版本号方案，确保没有 .dev 后缀"""
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  if version.exact:
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  else:
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  return version.format_with("0.0.0")
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  def custom_local_scheme(version):
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  """自定义本地版本方案，确保没有本地版本后缀"""
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  return ""
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  setup(
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  name="hjxdl",
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  use_scm_version={
hjxdl-0.0.6.dev1/version.txt ADDED
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hjxdl-0.0.6/version.txt DELETED
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