Please refer to the documentation hosted on readthedocs.

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.

User contributions are welcome! Please refer to the documentation for details on procedures and coding standards.

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

• Nathan A. Mahynski, Material Measurement Laboratory, Chemical Sciences Division, Chemical Informatics Group. Contact: [email protected]

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