Repositories list

• .github

  Public
  0•0•0•0•Updated Feb 13, 2026Feb 13, 2026

• richmol

  Public
  Molecular rotations and vibrations in fields

  molecular-dynamicsspectroscopyrovibrational-states+ 4chiralityraman-spectroscopystark-effecthyperfine-structure

  Python

  •0•1•0•0•Updated Feb 8, 2026Feb 8, 2026

• symm-flows

  Public
  This repository contains the Python code used to generate the results in "Symmetry-aware normalizing flows for calculation of vibrational spectra of molecules"…

  Jupyter Notebook

  •

  GNU General Public License v3.0

  •0•0•0•0•Updated Jan 13, 2026Jan 13, 2026

• bases_by_composition

  Public
  Inducing basis sets of square integrable functions by composing known basis sets with diffeomorphisms

  Jupyter Notebook

  •

  GNU General Public License v2.0

  •0•0•0•0•Updated Dec 9, 2025Dec 9, 2025

• isotope_nqr

  Public
  Nuclear-quadrupole spin resonances caused by isotope substitution

  symmetry-breakinghyperfine-structureisotope-substitution

  Jupyter Notebook

  •0•0•0•0•Updated Oct 23, 2025Oct 23, 2025

• vibrojet

  Public
  Python package for constructing molecular rovibrational kinetic and potential energy operators using Taylor-mode automatic differentiation

  automatic-differentiationhamiltonianrovibrational-states+ 2jaxtaylor-series-expansion

  Python

  •0•4•3•0•Updated Sep 4, 2025Sep 4, 2025

• rotational_clusters

  Public
  Nuclear spin-symmetry breaking in rotational cluster states of a triatomic molecule

  symmetry-breakingchiralityhyperfine-structure

  Jupyter Notebook

  •1•0•0•0•Updated Sep 4, 2025Sep 4, 2025

• 2025-post-jax-taylor

  Public
  Jupyter Notebook

  •0•1•0•0•Updated Apr 23, 2025Apr 23, 2025