Alister Goodfellow

xyzrender. Publication-quality molecular graphics.

graphRC. Internal Coordinate Analysis of Vibrational Modes from QM Calculations.

xyzgraph. Fast and generalisable conversion of xyz Cartesian coordinates to a molecular graph across the *whole* periodic table.

plotprofile. python package to plot reaction profiles

python-template. Copier template for Python project with uv, ruff, ty, pytest, just and GitHub actions CI.

aligfellow.