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aligfellow/README.md

Hi there 👋

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aligfellow's Stats aligfellow's Top Languages

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  1. vib_analysis vib_analysis Public

    Internal Coordinate Analysis of Vibrational Modes from QM Calculations.

    Python 6

  2. plotprofile plotprofile Public

    python package to plot reaction profiles

    Python 1

  3. xyzgraph xyzgraph Public

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

    Python 2 1