PARACUDA-NG

PARAmetric CUbe Data Analysis, Next Generation

Documentation: https://paracuda-ng.github.io/

PARACUDA-NG is an open-source tool for analyzing spectral data and building, validating, and applying machine-learning prediction models - designed for spectroscopy and remote sensing, but usable for any tabular spectral dataset.

The interface is organized as a 7-step wizard (Data → Configuration → Preprocess → Model → Validate → Execution → Apply) with a live Model Development Flow diagram, so a complete workflow - from loading spectra to applying a trained model on a multispectral or hyperspectral image - can be run without writing any code.

Features

Data Handling

• Flexible input: load spectral data from Excel (.xlsx, .xls, .ods) or CSV
• Data Converter: a built-in wizard that auto-detects arbitrary instrument layouts (row-wise or transposed/column-wise), handles nm/µm units, optionally merges a separate target properties (soil/vegetation) file, and exports to the PARACUDA-NG-compatible format
• Data checks & statistics: inspect loaded data and export summary statistics
• Multi-property selection: analyze several properties in a single run

Spectral Processing

• Preprocessing: Continuum Removal, First Derivative, Second Derivative, Absorbance (plus optional PCA dimensionality reduction in the model pipeline)
• Band resampling (7 methods): Linear, Nearest-Neighbour, Quadratic and Cubic-Spline interpolation, Gaussian SRF convolution, Empirical SRF integration, and Band Averaging - for harmonizing spectra to a target sensor's band configuration
• Wavelength exclusion: drop noisy regions with custom ranges or one-click presets (water-absorption bands, noisy detector edges)
• Custom band definitions: upload per-band FWHM or full Spectral Response Function (SRF) tables for bandwidth-aware resampling

Modeling

• Regression models: PLS-R, SVM, Ridge, Lasso, Multiple Linear Regression, Elastic Net, Huber Regressor, Gradient Boosting, Gaussian Process, Random Forest, and XGBoost
• Compositional modeling: ALR / CLR / ILR log-ratio transforms so predictions of sum-constrained parts (e.g. sand + silt + clay) add up to 100%
• Hyperparameter tuning: automated optimization (Optuna) for supported models
• Cross-validation: K-Fold, Leave-One-Out, and Leave-P-Out strategies

Batch Mode

• Multi-model comparison: train and compare multiple models automatically
• Best-fit recommendation: suggests the best model per property from R², RMSE, and cross-validation metrics
• Automated plots: observed-vs-predicted scatter plots, reflectance-spectra plots, and feature-importance charts (importance bars for tree models; wavelength-correlation plots for others)
• Comprehensive reporting: Excel workbooks with per-model comparison sheets plus multi-page PDF plot reports (model file, Excel report, and PDF share one run timestamp)

Apply to Images

• Multispectral & hyperspectral image prediction: apply a trained model across a full image cube
• Multi-format geospatial I/O: GeoTIFF/TIFF, ENVI (.dat/.bil/.bip/.bsq + .hdr), ERDAS Imagine (.img), NITF, and PCIDSK - wavelengths/FWHM are recovered from ENVI headers, and predictions are written back in the same format with georeferencing preserved
• Robust handling: automatic gain/offset scaling, background/no-data and bad-band masking, and memory-safe chunked processing for large scenes
• Resampled-cube export: optionally export the resampled image (or tabular spectra) to verify the harmonization step

Interface

• Themes: Ocean, Slate, Forest, Light-Contrast, and Dark (View → Theme)
• Model Development Flow: a live, themed pipeline diagram that reflects your current settings and can be exported at 300 DPI
• Built-in Help Assistant: searchable in-app guidance (see HELP_SYSTEM_README.md)

Data Converter

Not every instrument exports data in the layout PARACUDA-NG expects. The PARACUDA-NG Data Converter (Tools → Data Converter, or run utils/data_converter.py) is a three-step wizard - Load Data → Configure → Preview & Export - that auto-detects the layout of an arbitrary Excel/CSV file and converts it to the standard Names | Prop1 … PropN | WL1 … WLM format.

Project Structure

PARACUDA-NG is organized into focused packages:

Path	Contents
paracuda.py	Launcher entry point
gui/	Tkinter application, split into composable mixins
preprocessing/	Spectral preprocessing, resampling, compositional transforms
models/	Model training, hyperparameter tuning, batch processing
validation/	Cross-validation
utils/	File I/O, data converter, image processing, help assistant
paracuda_theme.py	Shared color themes

Quick Start (One-Click Launcher)

If you're not comfortable installing packages or running scripts from a terminal, use the included launcher - run_paracuda.bat on Windows, run_paracuda.sh on Linux and macOS. Both do the same thing:

1. Find your Conda installation (Miniforge, Miniconda, or Anaconda) and create the paracuda environment in it, on Python 3.14
2. If there is no Conda, fall back to any Python 3.10+ already on the computer and build a local .venv next to the launcher instead
3. If there is no usable Python at all, install one for the current user only - no administrator rights, nothing outside your own account is touched. Windows downloads the official python.org installer for the same 3.14 series into %LOCALAPPDATA%\Programs\PARACUDA-Python; Linux and macOS download Miniforge into ~/miniforge3, since there is no equivalent python.org installer there
4. Install everything from requirements.txt the first time you run it (this one-time setup takes a few minutes)
5. Launch PARACUDA-NG

On Linux and macOS the script needs the executable bit once, then it can be run from a terminal or double-clicked (choose Run in Terminal if your file manager asks):

chmod +x run_paracuda.sh
./run_paracuda.sh

There is no prerequisite - a machine with nothing installed works. The only thing needed for the first run is an internet connection. If setup fails, the launcher prints clear guidance and stays open so you can read the message. On Debian and Ubuntu, where a system Python is present but tkinter or venv is packaged separately, it names the exact sudo apt install line to run rather than downloading anything.

Installation (Manual)

The tool uses several Python packages listed in requirements.txt:

pip install -r requirements.txt

Usage (Manual)

Run the tool from the repository root:

python paracuda.py

A typical batch workflow:

1. Data - load spectral data and select one or more properties
2. Configuration / Preprocess - choose resampling, exclusions, and preprocessing
3. Model / Validate - pick single or multiple models and a cross-validation strategy
4. Execution - run the analysis to get an Excel report, PDF plots, and best-model recommendations, then save the trained model
5. Apply - load a multispectral or hyperspectral image, or a new dataset, and predict with the saved model

License

This project is licensed under the MIT License - see the LICENSE file for details.

Citation

If you use this software in your research, please cite:

@software{ParacudaNG2026,
author = {Sharad Kumar Gupta},
title = {PARACUDA-NG: An Open-Source Machine Learning tool for Spectroscopic Analysis},
year = {2026},
url = {https://github.com/sharadgupta27/paracuda-ng}
}

Acknowledgement

PARACUDA-NG takes its inspiration from the PARACUDA tool (based on Excel) developed by Schwartz et al. (2013) and PARACUDA II (MATLAB) by Carmon and Ben-Dor (2017).

1. Schwartz, G. (2013). Reflectance Spectroscopy as a Rapid Tool for Quantitative Mapping of Hydrocarbons Soil Contamination (PhD dissertation). The Porter School of Environmental Studies, Tel Aviv University. Supervised by Prof. Eyal Ben-Dor and Dr. Gil Eshel.
2. Carmon, N., and Ben-Dor, E. (2017). An advanced analytical approach for spectral-based modelling of soil properties. International Journal of Emerging Technologies and Advanced Engineering, 7, 90-97.

Commercial Use

The code is MIT-licensed, so commercial use is permitted - keeping the copyright notice is all that is required. For collaboration or support enquiries, contact: sharadgupta27@gmail.comFor commercial licensing inquiries, please contact: sharadgupta27@gmail.c