#spectroscopy
11 items tagged with "spectroscopy"
The Spectral Inverse Problem: From Group Theory to Foundation Models
March 8, 2026
BlogSpectral Identifiability: Group-Theoretic Constraints on Vibrational Inversion
February 15, 2026
BlogSpectraKit: A Functional API for Spectral Preprocessing
January 25, 2026
ProjectSpectraKit
Lightweight Python library for spectral preprocessing and analysis. Functional API over NumPy arrays, 619 tests, two core dependencies. Published on PyPI as pyspectrakit.
ProjectSpekron
A hybrid Mamba-Transformer foundation model for vibrational spectroscopy with wavelet embeddings, MoE routing, and VIB disentanglement.
ResearchHybrid State-Space Attention for Multi-Task Vibrational Spectroscopy
We introduce Spekron, a hybrid state-space and attention architecture for multi-task vibrational spectroscopy. The model...
ResearchInformation-Theoretic Limits of Spectroscopic Molecular Identification
We present a group-theoretic and information-theoretic framework for bounding what vibrational spectra can reveal about ...
SimulationNormal Mode Explorer
Decompose molecular vibrations into individual normal modes. See how each mode contributes to the total vibrational motion.
SimulationSpectrum-to-Structure
Input a vibrational spectrum and watch as an ML model predicts the most likely molecular structure in 3D.
SimulationSymmetry Explorer
Visualize molecular point groups, symmetry operations, and character tables. Learn how symmetry determines selection rules.
LibrarySpectraKit
A lightweight, pip-installable Python library for preprocessing and analyzing spectral data from IR, Raman, and NIR spectroscopy. Functional API, NumPy-native, two core dependencies.