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Achievement: Pull Shark

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Achievement: Pull Shark
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  1. Huckel Huckel Public

    Calculating Huckel pi energies for specified molecules

    Python 1

  2. MolDQN_CNS MolDQN_CNS Public

    Remade repository for the work done in the course of my Masters project at the University of Cambridge. This takes the MolDQN framework, and applies predictive models to allow the use of measured p…

    Jupyter Notebook 1

  3. DataProcessingAndPlotting DataProcessingAndPlotting Public

    Takes energy surfaces and finds equilibrium geometry

    Python

  4. Kinetics Kinetics Public

    Calculates time evolutions of chemical equilibria

    Python

  5. EnergySurfaces EnergySurfaces Public

    Finds a potential energy minimum for a set of n particles

    Python

  6. google-research google-research Public

    Forked from google-research/google-research

    Google Research

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