├── .github ├── CODE_OF_CONDUCT.md ├── CONTRIBUTING.md ├── ISSUE_TEMPLATE │ ├── bug_report.md │ └── feature_request.md ├── PULL_REQUEST_TEMPLATE │ ├── bug_fix.md │ └── feature_change.md └── pull_request_template.md ├── .gitignore ├── .readthedocs.yml ├── .travis.yml ├── .travis └── install.sh ├── LICENSE.txt ├── README.rst ├── doc ├── Makefile ├── make.bat └── source │ ├── __init__.py │ ├── api.rst │ ├── conf.py │ ├── examples │ ├── introduction │ │ └── Introduction.nblink │ └── real_world_applications │ │ ├── Carbohydrate_Microarray_PLS.nblink │ │ ├── FTIR_PLS.nblink │ │ └── PectinYield_MBPLS.nblink │ ├── index.rst │ ├── mbpls.data.rst │ ├── mbpls.rst │ ├── mbpls.tests.rst │ └── real_world_examples.rst ├── examples ├── introduction │ └── MBPLS_introduction.ipynb └── real_world_applications │ ├── Carbohydrate_Microarray_PLS.ipynb │ ├── FTIR_PLS.ipynb │ └── PectinYield_MBPLS.ipynb ├── mbpls ├── __init__.py ├── data │ ├── CarbohydrateMicroarrays │ │ ├── extraction1.pkl │ │ ├── extraction2.pkl │ │ └── extraction3.pkl │ ├── FTIR │ │ ├── ftir1.pkl │ │ ├── ftir2.pkl │ │ └── ftir3.pkl │ ├── MBPLS_intro │ │ ├── extraction1.pkl │ │ ├── extraction2.pkl │ │ ├── extraction3.pkl │ │ ├── ftir1.pkl │ │ ├── ftir2.pkl │ │ └── ftir3.pkl │ ├── MBdata.mat │ ├── TrametesVersicolor.mat │ ├── __init__.py │ └── get_data.py ├── mbpls.py └── tests │ ├── __init__.py │ ├── load_data.py │ ├── test_data │ ├── A_KERNEL.csv │ ├── A_NIPALS.csv │ ├── A_NlargerP_KERNEL.csv │ ├── A_NlargerP_UNIPALS.csv │ ├── A_UNIPALS.csv │ ├── P1_KERNEL.csv │ ├── P1_NIPALS.csv │ ├── P1_NlargerP_KERNEL.csv │ ├── P1_NlargerP_UNIPALS.csv │ ├── P1_SIMPLS.csv │ ├── P1_UNIPALS.csv │ ├── P2_KERNEL.csv │ ├── P2_NIPALS.csv │ ├── P2_NlargerP_KERNEL.csv │ ├── P2_NlargerP_UNIPALS.csv │ ├── P2_SIMPLS.csv │ ├── P2_UNIPALS.csv │ ├── T_KERNEL.csv │ ├── T_NIPALS.csv │ ├── T_NlargerP_KERNEL.csv │ ├── T_NlargerP_UNIPALS.csv │ ├── T_UNIPALS.csv │ ├── T_test_KERNEL.csv │ ├── T_test_NIPALS.csv │ ├── T_test_NlargerP_KERNEL.csv │ ├── T_test_NlargerP_UNIPALS.csv │ ├── T_test_UNIPALS.csv │ ├── Ts_KERNEL.csv │ ├── Ts_NIPALS.csv │ ├── Ts_NlargerP_KERNEL.csv │ ├── Ts_NlargerP_UNIPALS.csv │ ├── Ts_SIMPLS.csv │ ├── Ts_UNIPALS.csv │ ├── Ts_test_KERNEL.csv │ ├── Ts_test_NIPALS.csv │ ├── Ts_test_NlargerP_KERNEL.csv │ ├── Ts_test_NlargerP_UNIPALS.csv │ ├── Ts_test_SIMPLS.csv │ ├── Ts_test_UNIPALS.csv │ ├── U_KERNEL.csv │ ├── U_NIPALS.csv │ ├── U_NlargerP_KERNEL.csv │ ├── U_NlargerP_UNIPALS.csv │ ├── U_SIMPLS.csv │ ├── U_UNIPALS.csv │ ├── U_test_KERNEL.csv │ ├── U_test_NIPALS.csv │ ├── U_test_NlargerP_KERNEL.csv │ ├── U_test_NlargerP_UNIPALS.csv │ ├── U_test_SIMPLS.csv │ ├── U_test_UNIPALS.csv │ ├── V_KERNEL.csv │ ├── V_NIPALS.csv │ ├── V_NlargerP_KERNEL.csv │ ├── V_NlargerP_UNIPALS.csv │ ├── V_SIMPLS.csv │ ├── V_UNIPALS.csv │ ├── Y_predict_test_KERNEL.csv │ ├── Y_predict_test_NIPALS.csv │ ├── Y_predict_test_NlargerP_KERNEL.csv │ ├── Y_predict_test_NlargerP_UNIPALS.csv │ ├── Y_predict_test_SIMPLS.csv │ ├── 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