Projects

Open-source libraries, tools, and experiments in computational science.

active

SpectraKit

A unified spectroscopy toolkit for IR, Raman, and UV-Vis analysis with a clean Pythonic API.

python spectroscopy open-source
active

ReactorTwin

Surrogate digital twin for industrial chemical reactors using neural ODEs and physics-informed neural networks.

pytorch neural-odes pinns chemical-engineering digital-twin
active

Spekron

A hybrid Mamba-Transformer foundation model for vibrational spectroscopy with wavelet embeddings, MoE routing, and VIB disentanglement.

pytorch deep-learning spectroscopy foundation-model