resemble is an R package for similarity-based modelling and local learning in spectroscopy. It provides tools for dissimilarity computation, nearest-neighbour search, memory-based learning, and spectral library optimisation (methods designed for large, heterogeneous spectral datasets where global models underperform)

Spectral Nexus is a web application for data analysis, spectra classification and visualization.

An apple classification binary problem

SpecXY is a user-friendly software solution for preparing, editing, extracting and comparing (spatially resolved) spectral datasets

We propose a particle MCMC sampler to learn the kinetic parameters of a chemical system, specifically the adsorption and desorption of CO on Pd(111).

Functions to analyse mid infrared spectra of peat samples

Reproducible Research Compendium for "Improving Models to Predict Holocellulose and Klason Lignin Contents for Peat Soil Organic Matter with Mid-Infrared Spectra" and "The need to reinterpret Hodgkins et al. (2018)".

Process and analyze spectral data with tools for smoothing, baseline correction, normalization, scatter correction, derivatives, and peak analysis.

Infrared spectroscopy tutorial and reference (original version created by Prof. Charles Abrams using Macromedia Director)

Analysis of infared data from ISRA/IPAC (and x-ray from chandra) to investigate Class 0/I/II protostars

Provisional Patent created by XVisualAudio, HyperSpectral (IR, UV and visible light) data conversion to audio signals, proprietary protocol to create packets for a stream of video-like data fed to LLMs for training, queries, comparisons, chatbot

Feature selection method for spectroscopy dataset