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1. graphRC graphRC Public

   Internal Coordinate Analysis of Vibrational Modes from QM Calculations.

   Python 29 1

2. plotprofile plotprofile Public

   python package to plot reaction profiles

   Python 8

3. xyzgraph xyzgraph Public

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

   Python 17 2

4. xyzrender xyzrender Public

   Publication-quality molecular graphics.

   Python 480 43