ddsimca 1.0.0__tar.gz

ddsimca-1.0.0/.gitignore

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+__pycache__
+.venv
+.pytest_cache
+.DS_Store

ddsimca-1.0.0/LICENSE

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+Copyright (c) 2024 The Python Packaging Authority
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.
+
+THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
+IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
+FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
+AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
+LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
+OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
+SOFTWARE.

ddsimca-1.0.0/PKG-INFO

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+Metadata-Version: 2.4
+Name: ddsimca
+Version: 1.0.0
+Summary: Implementation of Data Driven SIMCA one class classification method
+Project-URL: Homepage, https://github.com/svkucheryavski/ddsimca
+Project-URL: Documentation, https://github.com/svkucheryavski/ddsimca
+Project-URL: Repository, https://github.com/svkucheryavski/ddsimca
+Project-URL: Bug Tracker, https://github.com/svkucheryavski/ddsimca/issues
+Author-email: Sergey Kucheryavskiy <svkucheryavski@gmail.com>
+License: MIT
+License-File: LICENSE
+Keywords: anomaly-detection,chemometrics,ddsimca,one-class-classification,simca
+Classifier: Development Status :: 4 - Beta
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: MIT License
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.8
+Classifier: Programming Language :: Python :: 3.9
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
+Requires-Python: >=3.8
+Requires-Dist: matplotlib>=3.8.0
+Requires-Dist: numpy>=1.19.0
+Requires-Dist: pandas>=2.2.0
+Requires-Dist: prcv>1.2.0
+Requires-Dist: scipy>=1.6.0
+Provides-Extra: dev
+Requires-Dist: pytest>=7.0.0; extra == 'dev'
+Description-Content-Type: text/markdown
+
+# Data Driven SIMCA
+
+The package *ddsimca* implements *Data Driven SIMCA* — a method for creating one-class classification (OCC) models (also known as *anomaly detectors* or *novelty detectors*). The theoretical background and practical examples for the DDSIMCA method are described in [this paper](https://doi.org/10.1002/cem.3556), please use it for citing this package as well. The paper is freely available to everyone via open access option. The other papers describing different theoretical aspects of the method are listed in the *Reference* section below.
+
+The paper shows all examples using the DD-SIMCA web-application ([mda.tools/ddsimca](https://mda.tools/ddsimca)). This package implements same functionality in Python, so you can get same outcomes and similar plots. The package can be installed from [PyPI](https://pypi.org) using `pip` or any other package manager compatible with PyPI, e.g.:
+
+
+```
+pip install ddsimca
+```
+
+It requires `numpy`, `scipy`, `pandas`, `prcv` and `matplotlib`,  which will be automatically installed as dependencies.
+
+
+## Getting started
+
+Use Jupyter notebook [demo.ipynb](https://github.com/svkucheryavski/ddsimca/blob/main/demo/demo.ipynb) or Markdown document [demo.md](https://github.com/svkucheryavski/ddsimca/blob/main/demo/demo.md) in order to get started. To run the examples from this notebook you need to download zip file with datasets (it is also used for illustration of the method in the paper). Here is [direct link](https://mda.tools/Oregano.zip) to the archive.
+
+Simply download the dataset and unzip it to your working directory, where you have the notebook or Markdown document, and follow the guidelines. The dataset can be downloaded from GitHub as well.
+
+## Releases
+
+**1.0.0** (1/1/2026)
+* initial release
+
+
+
+## References
+
+1. S. Kucheryavskiy, O. Rodionova, A. Pomerantsev. *A comprehensive tutorial on Data-Driven SIMCA: Theory and implementation in web*. Journal of Chemometrics, 38 (7), 2024. DOI: [10.1002/cem.3556](http://dx.doi.org/10.1002/cem.3556).
+
+2. A. Pomerantsev, O. Rodionova. *Selectivity in Nontargeted Qualitative Analysis*. Analytica Chimica Acta, 1332, 2024. DOI: [10.1016/j.aca.2024.343352](https://doi.org/10.1016/j.aca.2024.343352).
+
+3. A. Pomerantsev, O. Rodionova. *Popular decision rules in SIMCA: Critical review*. Journal of Chemometrics, 34 (8), 2020. DOI: [10.1002/cem.3250](https://doi.org/10.1002/cem.3250) 
+
+4. A. Pomerantsev, O. Rodionova. *On the type II error in SIMCA method*. Journal of Chemometrics, 28 (6), 2014. DOI: [10.1002/cem.2610](https://doi.org/10.1002/cem.2610).

ddsimca-1.0.0/README.md

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+# Data Driven SIMCA
+
+The package *ddsimca* implements *Data Driven SIMCA* — a method for creating one-class classification (OCC) models (also known as *anomaly detectors* or *novelty detectors*). The theoretical background and practical examples for the DDSIMCA method are described in [this paper](https://doi.org/10.1002/cem.3556), please use it for citing this package as well. The paper is freely available to everyone via open access option. The other papers describing different theoretical aspects of the method are listed in the *Reference* section below.
+
+The paper shows all examples using the DD-SIMCA web-application ([mda.tools/ddsimca](https://mda.tools/ddsimca)). This package implements same functionality in Python, so you can get same outcomes and similar plots. The package can be installed from [PyPI](https://pypi.org) using `pip` or any other package manager compatible with PyPI, e.g.:
+
+
+```
+pip install ddsimca
+```
+
+It requires `numpy`, `scipy`, `pandas`, `prcv` and `matplotlib`,  which will be automatically installed as dependencies.
+
+
+## Getting started
+
+Use Jupyter notebook [demo.ipynb](https://github.com/svkucheryavski/ddsimca/blob/main/demo/demo.ipynb) or Markdown document [demo.md](https://github.com/svkucheryavski/ddsimca/blob/main/demo/demo.md) in order to get started. To run the examples from this notebook you need to download zip file with datasets (it is also used for illustration of the method in the paper). Here is [direct link](https://mda.tools/Oregano.zip) to the archive.
+
+Simply download the dataset and unzip it to your working directory, where you have the notebook or Markdown document, and follow the guidelines. The dataset can be downloaded from GitHub as well.
+
+## Releases
+
+**1.0.0** (1/1/2026)
+* initial release
+
+
+
+## References
+
+1. S. Kucheryavskiy, O. Rodionova, A. Pomerantsev. *A comprehensive tutorial on Data-Driven SIMCA: Theory and implementation in web*. Journal of Chemometrics, 38 (7), 2024. DOI: [10.1002/cem.3556](http://dx.doi.org/10.1002/cem.3556).
+
+2. A. Pomerantsev, O. Rodionova. *Selectivity in Nontargeted Qualitative Analysis*. Analytica Chimica Acta, 1332, 2024. DOI: [10.1016/j.aca.2024.343352](https://doi.org/10.1016/j.aca.2024.343352).
+
+3. A. Pomerantsev, O. Rodionova. *Popular decision rules in SIMCA: Critical review*. Journal of Chemometrics, 34 (8), 2020. DOI: [10.1002/cem.3250](https://doi.org/10.1002/cem.3250) 
+
+4. A. Pomerantsev, O. Rodionova. *On the type II error in SIMCA method*. Journal of Chemometrics, 28 (6), 2014. DOI: [10.1002/cem.2610](https://doi.org/10.1002/cem.2610).

ddsimca-1.0.0/ddsimca/__init__.py

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+"""
+DD-SIMCA: one-class classification method
+"""
+
+__version__ = "1.0.0"
+__author__ = "Sergey Kucheryavskiy"
+__email__ = "svkucheryavski@gmail.com"
+
+from .ddsimca import DDSIMCA, DDSIMCARes, ddsimca, get_distparams, get_limits, process_members, process_strangers
+
+# __all__ = ["DDSIMCA", "DDSIMCARes", "get_distparams", "get_limits"]