The scikit-learn-native foundation package for chemometrics 🧪 🤖
-
Updated
Sep 5, 2026 - Python
The scikit-learn-native foundation package for chemometrics 🧪 🤖
🔬 Enable calibration transfer in vibrational spectroscopy using self-supervised learning to reduce labeled samples and correct instrument differences.
Multispectral NIR classification of 11 plastic types: 9-channel ResNet-18 vs. XGBoost on spectral intensity features
Closed-form classical surrogate for the ZZ quantum feature map: the induced metric is I + π²Q, the signless Laplacian of the entanglement graph. Code and data for the paper.
SpectraGryph-inspired desktop spectroscopy viewer & processor (PySide6 + pyqtgraph): FTIR/Raman/UV-Vis/NIR/XRF, baseline/smoothing/chemometrics, peak finding & Gaussian/Lorentzian/Voigt fitting, JCAMP-DX/SPC/OPUS IO.
To associate your repository with the nir-spectroscopy topic, visit your repo's landing page and select "manage topics."