Updated 6 months ago
boxsers
Python package that provides a full range of functionality to process and analyze vibrational spectra (Raman, SERS, FTIR, etc.).
Updated 6 months ago
pcaauto
PCAauto is a script developed to automate the PCA analysis of Molecular Dynamics.
Updated 6 months ago
https://github.com/aariq/pca-vs-pls
Research compendium for "Using the right tool for the job: understanding the difference between unsupervised and supervised analyses of multivariate ecological data."
Updated 6 months ago
porcupineplot
PORCUPINEplot is a script developed to automate the generation of porcupine plots of PCA analysis.