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Browse the latest algorithms, datasets, and tools contributed by the global chemometrics community. Find resources, share your work, and stay updated.

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Preprocessing Toolbox MATLAB

Asymmetric Least Squares (AsLS) for baseline correction (GUI)

Interactive GUI for AsLS baseline correction. Real-time preview, batch and signal-by-signal correction and configurable parameters.

Adrián Gómez-Sánchez [1]MIT | 1.0 | 2026-03-09

Data reader Other Python

CDF to TXT Converter

Batch convert ANDI/AIA NetCDF CDF chromatographic files to human-readable text

Adrián Gómez Sánchez [1]MIT | v1.0 | 2026-02-22

Simulation MATLAB

Simulated-GC-MS

Simulates GC-MS datasets with retention time shifts for PARAFAC2 benchmarking

Kuangda Tian [1][2], Lijun Wu [3] et al.MIT | 1.0 | 2026-02-19

Feature Selection Unmixing MATLAB

SPARAFAC

Sparse PARAFAC with L1-penalized multi-way tensor decomposition

Morten Arendt Rasmussen [1], Rasmus Bro [1]MIT | 1.0 | 2026-02-19

Feature Selection Data exploration MATLAB

SPCA

Sparse PCA with L1-penalized loadings for variable selection

Morten Arendt Rasmussen [1], Rasmus Bro [1]MIT | 1.0 | 2026-02-19

Normalized-2D-radial-pair-distributions

Normalized 2D radial pair distributions for molecular hydration analysis

Claus A. Andersson [1], Soren Balling Engelsen [1]MIT | 1.0 | 2026-02-19

Regression MATLAB

SCREAM

Shifted Covariates REgression Analysis for Multi-way data

Federico Marini [1], Rasmus Bro [2]MIT | 1.0 | 2026-02-19

Validation MATLAB

PCA-bootstrap

Bootstrap BCa confidence limits for PCA scores and loadings

Hamid Babamoradi [1], Frans W.J. van den Berg [1] et al.MIT | 1.0 | 2026-02-19

Data reader MATLAB

INCA

Imports and prepares Perkin-Elmer fluorometric data for MATLAB

Rasmus Bro [1], Claus A. Andersson [1]MIT | 1.41 | 2026-02-19

Missing data MATLAB

INDAFAC

Sparse PARAFAC fitting for incomplete multi-way data via Levenberg-Marquardt

Giorgio Tomasi [1], Rasmus Bro [2]MIT | 1.0 | 2026-02-19

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