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Denmark

Alister Goodfellow

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@aligfellow

comp chemist | PDRA @ Uni of Copenhagen | PDRA @ Uni of Leeds | PhD @ Uni of St Andrews

xyzrender. Publication-quality molecular graphics.

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

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

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plotprofile. python package to plot reaction profiles

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

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aligfellow.

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