Introducing ResRam_NG

ResRam_NG is the current Python application in the ResRAM family. It simulates and fits resonance Raman excitation profiles with the Independent Mode Displaced Harmonic Oscillator formalism and Brownian oscillator theory, providing a graphical workflow for comparison with experimental spectroscopy.

The PyQt6 and PyQtGraph interface displays absorption, fluorescence, and Raman excitation profiles. Heavy calculations run in a background thread, edits are debounced, individual vibrational modes can be included or hidden, and checkboxes choose which displacements and global parameters the lmfit optimizer may vary.

Start the GUI

git clone https://github.com/Alchemist-Aloha/ResRam_NG.git
cd ResRam_NG
uv run resram-gui

The expected working directory contains global settings, frequencies, displacements, experimental absorption and fluorescence spectra, Raman excitation profiles, and pump wavenumbers. Install the package with uv pip install -e . when using its core code from notebooks or scripts.

An optional Rust backend can accelerate the calculation path. It is built with Maturin through the repository's resram-rust-build and resram-rust-install commands; when Rust is unavailable, the Python implementation remains usable.

ResRam_NG balances inspectability and speed: a scientist can change parameters and immediately see the consequence, then opt into compiled acceleration without making it a hard installation requirement.

Visit the ResRam_NG repository for the current inputs, examples, and build helpers.