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pls4all - Partial Least Squares and Chemometrics Engine

A portable Partial Least Squares engine for chemometrics: the slim, PLS-focused distribution carved from the 'nirs4all-methods' library. It ships every method built on the shared PLS core (NIPALS, SIMPLS, SVD, kernel, wide-kernel, orthogonal-scores, power, randomized SVD, PCR): regression variants (sparse SIMPLS, CPPLS, weighted, robust, ridge, continuum, multi-block, GLM, MIR), adaptive AOM-PLS / POP-PLS operator selection, variable-selection methods (SPA, CARS, GA, random frog, stability selection, VIP), PLS diagnostics (Hotelling T2, Q residuals, DModX), and calibration transfer (PDS, DS). The spectroscopy-specific surface (spectral preprocessing, augmentation, sample filters, signal-type detection) lives in the full 'nirs4all-methods' distribution. The same 'C++17' numerical core powers both; here it is vendored and compiled from source at install time, with no external system libraries required.

Last updated

cpp

5.61 score 18 stars 90 scripts

n4m - Portable Partial Least Squares and NIRS Engine

Implements a portable Partial Least Squares (PLS) and Near-Infrared Spectroscopy (NIRS) engine. Provides fit/predict wrappers for the shipped PLS regression solvers (NIPALS, SIMPLS, SVD, kernel, wide-kernel, orthogonal-scores, power, randomized SVD, PCR), variants (sparse SIMPLS, CPPLS, weighted, robust, ridge, continuum, multi-block, GLM, MIR), adaptive AOM-PLS and POP-PLS operator selection, variable-selection methods (SPA, CARS, GA, random frog, stability selection, VIP), diagnostics (Hotelling T2, Q residuals, DModX), and calibration transfer (PDS, DS). The 'C++17' implementation is vendored and compiled from source at install time; no external system libraries are required.

Last updated

cpp

4.65 score 18 stars 5 scripts

nirs4allformats - Read Near-Infrared Spectroscopy and Spectral File Formats

Thin 'R' binding for the 'nirs4all-formats' near-infrared spectroscopy (NIRS) file-loading core written in 'Rust'. When installed via 'R CMD INSTALL' with 'Cargo' available, the package compiles a native 'extendr' static library from 'src/rust/' and dispatches probe, read, and walk calls directly through 'Rust'. Without 'Cargo' it falls back to invoking the 'nirs4all-formats' command-line interface. This is the complete build: it ships every reader, including the optional large ones ('HDF5'/'netCDF', 'Parquet'/'Arrow', 'MATLAB') on top of the core readers ('JCAMP-DX', 'Galactic SPC', 'Bruker OPUS', 'ASD', 'ENVI', 'CSV', 'Excel', and many vendor ASCII/binary formats). A smaller sibling package 'nirs4allformats.lite' drops only the 'Parquet'/'Arrow' reader for size-sensitive installs.

Last updated

rustcargo

3.68 score 19 stars 6 scripts

nirs4allformats.lite - Read Near-Infrared Spectroscopy and Spectral File Formats (No 'Parquet')

Smaller variant of the 'R' binding for the 'nirs4all-formats' near-infrared spectroscopy (NIRS) file-loading core written in 'Rust'. When installed via 'R CMD INSTALL' with 'Cargo' available, the package compiles a native 'extendr' static library from 'src/rust/' and dispatches probe, read, and walk calls directly through 'Rust'. Without 'Cargo' it falls back to invoking the 'nirs4all-formats' command-line interface. This build ships every reader except the 'Parquet'/'Arrow' reader (the single biggest dependency): it keeps 'HDF5'/'netCDF', 'MATLAB' and all core readers ('JCAMP-DX', 'Galactic SPC', 'Bruker OPUS', 'ASD', 'ENVI', 'CSV', 'Excel', and many vendor ASCII/binary formats). The complete build with 'Parquet' support is the sibling package 'nirs4allformats'; feeding this build a 'Parquet' input returns an actionable error naming it.

Last updated

rustcargo

3.68 score 19 stars 2 scripts

nirs4allio - Dataset-Assembly Bridge for the 'nirs4all' Ecosystem

'R' binding over the 'nirs4all-io' C 'ABI' ('n4io_*'): normalize inputs into a canonical 'DatasetSpec', infer a 'DatasetPlan', and validate a 'DatasetSpec'. The JSON surface crosses the stable C 'ABI'; the low-level 'n4io_*' functions take and return canonical JSON strings, while the idiomatic 'nio_*' layer accepts native 'R' inputs (a path, a vector of files, or a config list) and returns typed S3 objects with print and as.data.frame methods.

Last updated

rustcargo

2.78 score 3 stars 3 scripts

nirs4alldatasets - Acquire Curated NIRS Reference Datasets ('nirs4all-datasets')

'R' binding over the 'nirs4all-datasets' C 'ABI' ('n4ds_*'): resolve a dataset id from the distributable catalog index into a version-pinned download contract, fetch the canonical 'Parquet' ('Dataverse' / 'Zenodo' / 'figshare') with SHA-256 verification into a local cache, and re-verify a cached directory offline. JSON crosses the stable C 'ABI'; analysis of the data is left to the host.

Last updated

rustcargo

2.65 score 3 stars 1 scripts

nirs4all - Portable 'nirs4all' Aggregate Binding

Aggregates the 'nirs4all' formats, IO, datasets, methods, 'dag-ml', and 'dag-ml-data' language bindings into one portable package surface without reimplementing their parsing, numerical, or pipeline logic. The aggregated engines remain the source of truth and are delegated to at run time.

Last updated

2.00 score 1 stars 2 scripts

nirs4alldatasets - Acquire Curated NIRS Reference Datasets ('nirs4all-datasets')

R binding over the 'nirs4all-datasets' C 'ABI' ('n4ds_*'): resolve a dataset id from the distributable catalog index into a version-pinned download contract, fetch the canonical 'Parquet' ('Dataverse' / 'Zenodo' / 'figshare') with SHA-256 verification into a local cache, and re-verify a cached directory offline. JSON crosses the stable C 'ABI'; analysis of the data is left to the host.

Last updated

rustcargo

1.00 score 1 scripts

nirs4alldatasets - Acquire Curated NIRS Reference Datasets ('nirs4all-datasets')

R binding over the 'nirs4all-datasets' C 'ABI' ('n4ds_*'): resolve a dataset id from the distributable catalog index into a version-pinned download contract, fetch the canonical 'Parquet' ('Dataverse' / 'Zenodo' / 'figshare') with SHA-256 verification into a local cache, and re-verify a cached directory offline. JSON crosses the stable C 'ABI'; analysis of the data is left to the host.

Last updated

rustcargo

1.00 score 1 scripts