Chemometrics Workbench 1.2.0

v1.2.0 - Phase 6 complete: validation integrity

Chemometrics Workbench 1.2.0 for Windows (.zip), Apple Silicon macOS (.dmg)
and Linux (.tar.gz). Packages are unsigned; docs/how-to-open.md explains how
to get past the operating system's warning.

Phase 6 makes the numbers a user reports trustworthy. Splits can be grouped
by a label column, so replicate measurements of one sample never validate
each other, with leave-one-group-out beside K-fold and train/test. The model
reported, saved and exported below a split is refitted on every sample.
Variable selection can be validated in a nested loop and made from a
PLS-DA. A seeded y-permutation test runs as a job and draws the null;
bootstrap intervals band PLS and PCR coefficients and VIP. Classifiers get
class-wise outlier diagnostics. SVM (linear or RBF, on principal component
scores, one-vs-one) joins the classifiers, hand-written. The import preview
lets the axis kind be corrected, the Step list offers every step, and the
Python test suite runs in parallel. The documentation gains a worked example
on the raw meat set grouped by sample, and how-tos for nested validation,
bootstrap bands and class-wise diagnostics.

The exit criterion is met and recorded in docs/phase-6/exit-run.md: on the
raw Quadram meat set grouped by sample, the grouped folds, PLS-DA's
cross-validated tally, its permutation p-value and final model, a VIP
selection's nested error and SVM's tally match scikit-learn on the same
folds, and the exported JSON model and snippet reproduce the application's
assignments; on Tecator, the final PLS and its bootstrap intervals match a
reference. Signed packages (#339) remain blocked on certificates.

Downloads

Unsigned. Your system will warn the first time you open it:
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Package	Download	Unpacked
ChemometricsWorkbench-linux-x64.tar.gz	71 MB	182 MB
ChemometricsWorkbench-macos-arm64.dmg	49 MB	99 MB
ChemometricsWorkbench-windows-x64.zip	63 MB	150 MB

Chemometrics Workbench 1.1.0

v1.1.0 - Phase 5 complete: methods breadth

Chemometrics Workbench 1.1.0 for Windows (.zip), Apple Silicon macOS (.dmg)
and Linux (.tar.gz). Packages are unsigned; docs/how-to-open.md explains how
to get past the operating system's warning.

Phase 5 added stratified K-fold and train/test splits; PCR, a PLS2 kernel,
multi-class PLS-DA, SIMCA, LDA and kNN; moving-average, median, Gaussian and
Whittaker smoothing; outlier diagnostics (leverage, studentised residuals,
robust distance by FastMCD) with exclusion the user confirms, kept as a new
dataset version; variable selection by VIP, iPLS or CARS as a step in the
pipeline, with a warning when the selection saw the samples that validate
it; and readers for MATLAB .mat, Galactic SPC, Thermo OMNIC SPA and ASD
FieldSpec. The documentation gains a worked classification example on the
Quadram meat set and how-tos for outliers and variable selection.

The exit criterion is met and recorded in docs/phase-5/exit-run.md: the meat
set cleaned and its variables selected, PLS-DA, SIMCA, LDA and kNN compared
under one stratified cross-validation against scikit-learn and SciPy
references on the same folds, every table equal and every continuous
quantity within the parity tolerance; and a file of each new format imported
and matched against its source.

Downloads

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Package	Download	Unpacked
ChemometricsWorkbench-linux-x64.tar.gz	71 MB	182 MB
ChemometricsWorkbench-macos-arm64.dmg	49 MB	99 MB
ChemometricsWorkbench-windows-x64.zip	63 MB	150 MB

Chemometrics Workbench 1.0.0

v1.0.0 - Phase 4 complete: package and release

The first release of Chemometrics Workbench: a local-first chemometrics
workbench shipped as one double-clickable application for Windows (.zip),
Apple Silicon macOS (.dmg) and Linux (.tar.gz). Packages are unsigned;
docs/how-to-open.md explains how to get past the operating system's warning.

Phase 4 delivered Host and Origin checks on every request, a launcher that
opens the browser on the workbench, PyInstaller builds smoke-tested on three
platforms, a release workflow, a documentation site on GitHub Pages with the
parity report and worked PCA and PLS examples, Export JSON, Export Python and
Save report buttons, and CONTRIBUTING.md.

The exit criterion, a non-developer completing a PCA in under ten minutes, was
not timed. A human tester smoke-tested the release on Windows and macOS and
reported it working as expected; the maintainer accepted that and released on
it. docs/phase-4/exit-run.md records it.

Downloads

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Package	Download	Unpacked
ChemometricsWorkbench-linux-x64.tar.gz	70 MB	178 MB
ChemometricsWorkbench-macos-arm64.dmg	48 MB	96 MB
ChemometricsWorkbench-windows-x64.zip	62 MB	147 MB

Chemometrics Workbench 0.9.0-rc2

Release candidate for the Phase 4 exit run.

The build a tester downloads for #239. Since rc1: Host and Origin checks, the docs site, export and report buttons, the canvas refit and add-step menu (#258), and a page that reloads once when a bundle asset fails to load (#255). Unsigned; see docs/how-to-open.md.

Downloads

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Package	Download	Unpacked
ChemometricsWorkbench-linux-x64.tar.gz	70 MB	178 MB
ChemometricsWorkbench-macos-arm64.dmg	48 MB	96 MB
ChemometricsWorkbench-windows-x64.zip	62 MB	147 MB

Chemometrics Workbench 0.9.0-rc1

Release candidate for the first packaged build.

This pre-release proves the release workflow (#234): three unsigned packages, built and smoke-tested by CI from this tag. Not for general use.

Downloads

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Package	Download	Unpacked
ChemometricsWorkbench-linux-x64.tar.gz	68 MB	174 MB
ChemometricsWorkbench-macos-arm64.dmg	48 MB	95 MB
ChemometricsWorkbench-windows-x64.zip	62 MB	146 MB

v0.8.0

Full Changelog: v0.7.0...v0.7.0