/pychemauth

Chemometric analysis methods implemented in python

Primary LanguagePythonOtherNOASSERTION

Python-based Chemometric Authentication

pre-commit Code style: black Imports: isort Workflow DOI

Please refer to the documentation hosted on readthedocs.

Description

This is a toolkit to perform chemometric analysis, though it is primarily focused on authentication. These methods are designed to follow scikit-learn’s estimator API so that they can be deployed in pipelines used with GridSearchCV, etc. and are compatible with workflows involving other modern machine learning (ML) tools.

Citation

Refer to the CITATION.cff file for information regarding the citation of this repository. Also see the documentation for more details.

Contact information

  • Nathan A. Mahynski, Material Measurement Laboratory, Chemical Sciences Division, Chemical Informatics Group. Contact: nathan.mahynski@nist.gov

License Information

  • See LICENSE.md for more information.
  • Any mention of commercial products is for information only; it does not imply recommendation or endorsement by NIST.