Spin Chemistry Software

This page is designed for those new and old to the field of spin chemistry.

Please join our Discord server to ask questions and discuss topics with people from the field of spin chemistry.

Specific to Radical / Triplet Pairs

RadicalPy

Open-source object-oriented software written in Python. Useful for learning spin chemistry and simulating experimental data. The software offers classical, semi-classical, and quantum simulation methodologies.

RadicalPy website

General Spin Dynamics

MolSpin

Open-source software written in C++ in the Linux operating system. Useful for simulating general spin systems with sophisticated relaxation algorithms.

MolSpin website

EPR / NMR

In alphabetical order:

EasySpin

Open-source toolbox in the proprietary software MATLAB. Useful for fitting and simulation EPR spectra.

EasySpin website

Spinach

Open-source toolbox in the propietary software MATLAB. Useful for simulating EPR and NMR spectra.

Spinach website