Plots IR spectra from from ORCA output files

Open-source spectroscopy application for controlling and taking measurements from Wasatch Photonics spectrometers.

Integrate your chemometric tools with the scikit-learn API 🧪 🤖

Plotting and analysis tools for ARTIS simulations

Calculate many-body states of an impurity Anderson model and spectra (e.g. XPS, XAS, RIXS, NIXS)

Shell script to generate fake spectra in heasoft Xspec

GUI application for calculating human-visible colors of celestial bodies from their photometric data

A python package for communicating with Bruker OPUS spectroscopy software and reading its binary file format.

Library for ocean wave spectra

Modular Data Collection System

Prototype algorithm that analyzes and classifies components based on filtered bands in FT-IR spectral data.

C/C++ library and Python bindings for x-ray cross sections, x-ray source spectra modeling, multi-material beam hardening correction, and dual energy decomposition algorithms

Baseline correction, smoothing, processing and plotting of Raman spectra

A tutorial R package for illustrating how to fit, evaluate, and report spectra-trait PLSR models. The package provides functions to enhance the base functionality of the R pls package, identify an optimal number of PLSR components, standardize model validation, and vignette examples that utilize datasets sourced from EcoSIS (ecosis.org)

A project focused on the development of generalized spectra-trait models for the prediction of leaf photosynthetic capacity. This includes models focused on the prediction of leaf nitrogen, leaf mass per area (LMA), leaf water content (LWC), Vcmax, Jmax and dark respiration.

Artificial Neural-Net compression and fitting of synthetic spectral grids.

🌱 A fast line-by-line code for high-resolution infrared molecular spectra

Proteomics search software with integrated calibration, PTM discovery, bottom-up, top-down and LFQ capabilities

This code finds an optimal architecture, search for hyperparameters (using OPTUNA code), trains and make predictions using LYMAN alpha part of simulated 1D super massive black hole spectra and converts it to intergalactic medium gas conditions along the line of sight. However, this code easily be utilized for ANY 1D signals using supervised ML.

A package for plotting and manipulating 1D spectra