bblean 0.7.4b0__tar.gz → 0.7.5__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 (97) hide show
  1. {bblean-0.7.4b0 → bblean-0.7.5}/PKG-INFO +1 -1
  2. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_version.py +2 -2
  3. {bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/PKG-INFO +1 -1
  4. {bblean-0.7.4b0 → bblean-0.7.5}/.cruft.json +0 -0
  5. {bblean-0.7.4b0 → bblean-0.7.5}/.flake8 +0 -0
  6. {bblean-0.7.4b0 → bblean-0.7.5}/.github/CODEOWNERS +0 -0
  7. {bblean-0.7.4b0 → bblean-0.7.5}/.github/workflows/ci-cpp.yaml +0 -0
  8. {bblean-0.7.4b0 → bblean-0.7.5}/.github/workflows/ci.yaml +0 -0
  9. {bblean-0.7.4b0 → bblean-0.7.5}/.github/workflows/upload-to-pypi.yaml +0 -0
  10. {bblean-0.7.4b0 → bblean-0.7.5}/.gitignore +0 -0
  11. {bblean-0.7.4b0 → bblean-0.7.5}/.pre-commit-config.yaml +0 -0
  12. {bblean-0.7.4b0 → bblean-0.7.5}/LICENSE +0 -0
  13. {bblean-0.7.4b0 → bblean-0.7.5}/LICENSES/BSD-3-Clause.txt +0 -0
  14. {bblean-0.7.4b0 → bblean-0.7.5}/LICENSES/GPL-3.0-only.txt +0 -0
  15. {bblean-0.7.4b0 → bblean-0.7.5}/README.md +0 -0
  16. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/__init__.py +0 -0
  17. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_config.py +0 -0
  18. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_console.py +0 -0
  19. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_legacy/__init__.py +0 -0
  20. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_legacy/bb_int64.py +0 -0
  21. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_legacy/bb_uint8.py +0 -0
  22. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_memory.py +0 -0
  23. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_merges.py +0 -0
  24. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_py_similarity.py +0 -0
  25. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/_timer.py +0 -0
  26. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/analysis.py +0 -0
  27. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/bitbirch.py +0 -0
  28. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/cli.py +0 -0
  29. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/csrc/README.md +0 -0
  30. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/csrc/similarity.cpp +0 -0
  31. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/fingerprints.py +0 -0
  32. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/metrics.py +0 -0
  33. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/multiround.py +0 -0
  34. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/plotting.py +0 -0
  35. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/similarity.py +0 -0
  36. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/sklearn.py +0 -0
  37. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/smiles.py +0 -0
  38. {bblean-0.7.4b0 → bblean-0.7.5}/bblean/utils.py +0 -0
  39. {bblean-0.7.4b0 → bblean-0.7.5}/bblean-demo-v2.gif +0 -0
  40. {bblean-0.7.4b0 → bblean-0.7.5}/bblean-demo.cast +0 -0
  41. {bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/SOURCES.txt +0 -0
  42. {bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/dependency_links.txt +0 -0
  43. {bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/entry_points.txt +0 -0
  44. {bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/requires.txt +0 -0
  45. {bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/top_level.txt +0 -0
  46. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/api.svg +0 -0
  47. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/installing.svg +0 -0
  48. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/logo-dark-bw.svg +0 -0
  49. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/logo-light-bw.svg +0 -0
  50. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/publications.svg +0 -0
  51. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/style.css +0 -0
  52. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_static/user-guide.svg +0 -0
  53. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/_templates/module.rst +0 -0
  54. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/api-reference.rst +0 -0
  55. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/conf.py +0 -0
  56. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/index.rst +0 -0
  57. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/installing.rst +0 -0
  58. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/publications.rst +0 -0
  59. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/user-guide/linux_memory_setup.rst +0 -0
  60. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/user-guide/notebooks/bitbirch_best_practices.ipynb +0 -0
  61. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/user-guide/notebooks/bitbirch_quickstart.ipynb +0 -0
  62. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/user-guide/parameters.rst +0 -0
  63. {bblean-0.7.4b0 → bblean-0.7.5}/docs/src/user-guide.rst +0 -0
  64. {bblean-0.7.4b0 → bblean-0.7.5}/environment.yaml +0 -0
  65. {bblean-0.7.4b0 → bblean-0.7.5}/examples/best_practices/best_practices_functions.py +0 -0
  66. {bblean-0.7.4b0 → bblean-0.7.5}/examples/best_practices/best_practices_plots.py +0 -0
  67. {bblean-0.7.4b0 → bblean-0.7.5}/examples/best_practices/bitbirch_best_practices.ipynb +0 -0
  68. {bblean-0.7.4b0 → bblean-0.7.5}/examples/best_practices/bitbirch_best_practices_RDKit.ipynb +0 -0
  69. {bblean-0.7.4b0 → bblean-0.7.5}/examples/best_practices/bitbirch_parameter.ipynb +0 -0
  70. {bblean-0.7.4b0 → bblean-0.7.5}/examples/biogen_logS.csv +0 -0
  71. {bblean-0.7.4b0 → bblean-0.7.5}/examples/bitbirch_best_practices.ipynb +0 -0
  72. {bblean-0.7.4b0 → bblean-0.7.5}/examples/bitbirch_quickstart.ipynb +0 -0
  73. {bblean-0.7.4b0 → bblean-0.7.5}/examples/chembl-33-natural-products-subset.smi +0 -0
  74. {bblean-0.7.4b0 → bblean-0.7.5}/examples/dataset_splitting.ipynb +0 -0
  75. {bblean-0.7.4b0 → bblean-0.7.5}/pyproject.toml +0 -0
  76. {bblean-0.7.4b0 → bblean-0.7.5}/setup.cfg +0 -0
  77. {bblean-0.7.4b0 → bblean-0.7.5}/setup.py +0 -0
  78. {bblean-0.7.4b0 → bblean-0.7.5}/tests/chembl-sample-3k.smi +0 -0
  79. {bblean-0.7.4b0 → bblean-0.7.5}/tests/chembl-sample-bad.smi +0 -0
  80. {bblean-0.7.4b0 → bblean-0.7.5}/tests/legacy_merges.py +0 -0
  81. {bblean-0.7.4b0 → bblean-0.7.5}/tests/legacy_metrics.py +0 -0
  82. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_bb_consistency.py +0 -0
  83. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_cli.py +0 -0
  84. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_fake_fps.py +0 -0
  85. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_fingerprints.py +0 -0
  86. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_global_clustering.py +0 -0
  87. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_import_bblean.py +0 -0
  88. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_merges.py +0 -0
  89. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_metrics.py +0 -0
  90. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_multiround.py +0 -0
  91. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_refine.py +0 -0
  92. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_regression.py +0 -0
  93. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_sampling.py +0 -0
  94. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_similarity.py +0 -0
  95. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_simple.py +0 -0
  96. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_sklearn.py +0 -0
  97. {bblean-0.7.4b0 → bblean-0.7.5}/tests/test_utils.py +0 -0
{bblean-0.7.4b0 → bblean-0.7.5}/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: bblean
3
- Version: 0.7.4b0
3
+ Version: 0.7.5
4
4
  Summary: BitBirch-Lean Python package
5
5
  Author: The Miranda-Quintana Lab and other BitBirch developers
6
6
  Author-email: Ramon Alain Miranda Quintana <quintana@chem.ufl.edu>, Krisztina Zsigmond <kzsigmond@ufl.edu>, Ignacio Pickering <ipickering@ufl.edu>, Kenneth Lopez Perez <klopezperez@chem.ufl.edu>, Miroslav Lzicar <miroslav.lzicar@deepmedchem.com>
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/_version.py RENAMED
@@ -28,7 +28,7 @@ version_tuple: VERSION_TUPLE
28
28
  commit_id: COMMIT_ID
29
29
  __commit_id__: COMMIT_ID
30
30
 
31
- __version__ = version = '0.7.4.b0'
32
- __version_tuple__ = version_tuple = (0, 7, 4, 'b0')
31
+ __version__ = version = '0.7.5'
32
+ __version_tuple__ = version_tuple = (0, 7, 5)
33
33
 
34
34
  __commit_id__ = commit_id = None
{bblean-0.7.4b0 → bblean-0.7.5}/bblean.egg-info/PKG-INFO RENAMED
@@ -1,6 +1,6 @@
1
1
  Metadata-Version: 2.4
2
2
  Name: bblean
3
- Version: 0.7.4b0
3
+ Version: 0.7.5
4
4
  Summary: BitBirch-Lean Python package
5
5
  Author: The Miranda-Quintana Lab and other BitBirch developers
6
6
  Author-email: Ramon Alain Miranda Quintana <quintana@chem.ufl.edu>, Krisztina Zsigmond <kzsigmond@ufl.edu>, Ignacio Pickering <ipickering@ufl.edu>, Kenneth Lopez Perez <klopezperez@chem.ufl.edu>, Miroslav Lzicar <miroslav.lzicar@deepmedchem.com>
{bblean-0.7.4b0 → bblean-0.7.5}/.cruft.json RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/.flake8 RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/.github/CODEOWNERS RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/.gitignore RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/.pre-commit-config.yaml RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/LICENSE RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/README.md RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/__init__.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/_config.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/_console.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/_memory.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/_merges.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/_timer.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/analysis.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/bitbirch.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/cli.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/csrc/README.md RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/fingerprints.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/metrics.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/multiround.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/plotting.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/similarity.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/sklearn.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/smiles.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean/utils.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean-demo-v2.gif RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/bblean-demo.cast RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/docs/src/conf.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/docs/src/index.rst RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/docs/src/installing.rst RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/docs/src/user-guide.rst RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/environment.yaml RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/pyproject.toml RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/setup.cfg RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/setup.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/legacy_merges.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/legacy_metrics.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_cli.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_fake_fps.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_merges.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_metrics.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_refine.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_sampling.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_simple.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_sklearn.py RENAMED
File without changes
{bblean-0.7.4b0 → bblean-0.7.5}/tests/test_utils.py RENAMED
File without changes