Collection of modelling algorithms for NMR & MS data, including principal components analysis (PLS), (orthogonal) partial least squares (O-PLS, PLS), non-negative least squares regression (NNLSQ). Included are model visualisations based on matplotlib.
Collection of modelling algorithms for NMR & MS data, including principal components analysis (PLS), (orthogonal) partial least squares (O-PLS, PLS), non-negative least squares regression (NNLSQ). Included are model visualisations based on matplotlib.