chemplot 1.3.0__tar.gz → 1.3.1__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 (38) hide show
  1. chemplot-1.3.1/MANIFEST.in +2 -0
  2. {chemplot-1.3.0/chemplot.egg-info → chemplot-1.3.1}/PKG-INFO +2 -2
  3. {chemplot-1.3.0 → chemplot-1.3.1}/README.md +1 -1
  4. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/chemplot.py +1 -1
  5. chemplot-1.3.1/chemplot/data/C_1478_CLINTOX_2.csv +1479 -0
  6. chemplot-1.3.1/chemplot/data/C_1513_BACE_2.csv +1514 -0
  7. chemplot-1.3.1/chemplot/data/C_2039_BBBP_2.csv +2040 -0
  8. chemplot-1.3.1/chemplot/data/C_41127_HIV_3.csv +41128 -0
  9. chemplot-1.3.1/chemplot/data/R_1291_LOGS.csv +1292 -0
  10. chemplot-1.3.1/chemplot/data/R_1513_BACE.csv +1514 -0
  11. chemplot-1.3.1/chemplot/data/R_4200_LOGP.csv +4201 -0
  12. chemplot-1.3.1/chemplot/data/R_642_SAMPL.csv +643 -0
  13. chemplot-1.3.1/chemplot/data/R_9982_AQSOLDB.csv +9983 -0
  14. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/descriptors.py +1 -1
  15. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/parameters.py +1 -1
  16. chemplot-1.3.1/chemplot/tests/test_data/C_1484_CLINTOX_2_erroneous_smiles.csv +1485 -0
  17. chemplot-1.3.1/chemplot/tests/test_data/C_2039_BBBP_2_erroneous_smiles.csv +2040 -0
  18. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/utils.py +1 -1
  19. {chemplot-1.3.0 → chemplot-1.3.1/chemplot.egg-info}/PKG-INFO +2 -2
  20. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot.egg-info/SOURCES.txt +12 -1
  21. {chemplot-1.3.0 → chemplot-1.3.1}/pyproject.toml +1 -1
  22. chemplot-1.3.0/MANIFEST.in +0 -1
  23. {chemplot-1.3.0 → chemplot-1.3.1}/LICENSE +0 -0
  24. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/__init__.py +0 -0
  25. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/__init__.py +0 -0
  26. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/cluster_test.py +0 -0
  27. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/conftest.py +0 -0
  28. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/fromsmiles_test.py +0 -0
  29. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/interactive_plot_test.py +0 -0
  30. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/pca_test.py +0 -0
  31. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/tsne_test.py +0 -0
  32. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/umap_test.py +0 -0
  33. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/utils_test.py +0 -0
  34. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot/tests/visualize_plot_test.py +0 -0
  35. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot.egg-info/dependency_links.txt +0 -0
  36. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot.egg-info/requires.txt +0 -0
  37. {chemplot-1.3.0 → chemplot-1.3.1}/chemplot.egg-info/top_level.txt +0 -0
  38. {chemplot-1.3.0 → chemplot-1.3.1}/setup.cfg +0 -0
chemplot-1.3.1/MANIFEST.in ADDED
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+ include chemplot/data/*.csv
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+ include chemplot/tests/test_data/*.csv
{chemplot-1.3.0/chemplot.egg-info → chemplot-1.3.1}/PKG-INFO RENAMED
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  Metadata-Version: 2.1
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  Name: chemplot
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- Version: 1.3.0
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+ Version: 1.3.1
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  Summary: A python library for chemical space visualization.
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  Author-email: Murat Cihan Sorkun <mcsorkun@gmail.com>, Dajt Mullaj <dajt.mullai@gmail.com>, Jackson Warner Burns <jwburns@mit.edu>
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  License: BSD
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  - [Murat Cihan Sorkun](mailto:mcsorkun@gmail.com)
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  - [Dajt Mullaj](mailto:dajt.mullai@gmail.com)
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- - [Jackson Warner Burns](jwburns@mit.edu)
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+ - [Jackson Warner Burns](mailto:jwburns@mit.edu)
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  * * * * *
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{chemplot-1.3.0 → chemplot-1.3.1}/README.md RENAMED
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  - [Murat Cihan Sorkun](mailto:mcsorkun@gmail.com)
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  - [Dajt Mullaj](mailto:dajt.mullai@gmail.com)
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- - [Jackson Warner Burns](jwburns@mit.edu)
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+ - [Jackson Warner Burns](mailto:jwburns@mit.edu)
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  * * * * *
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{chemplot-1.3.0 → chemplot-1.3.1}/chemplot/chemplot.py RENAMED
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- # Authors: Murat Cihan Sorkun <mcsorkun@gmail.com>, Dajt Mullaj <dajt.mullai@gmail.com>
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+ # Authors: Murat Cihan Sorkun <mcsorkun@gmail.com>, Dajt Mullaj <dajt.mullai@gmail.com>, Jackson Warner Burns <jwburns@mit.edu>
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  #
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  # License: BSD 3 clause
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  from __future__ import print_function