8000 CRingrose94 (Chris Ringrose) · GitHub
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  • Newcastle, UK

Achievements

Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

Achievements

Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx3

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CRingrose94/README.md

Hi, I'm Chris Ringrose, I am currently finishing a PhD in computational chemistry.

My work primarily revolves around producing force field models for drug-like molecules.

This work largely takes place through the software QUBEKit, an open-source, long-lifetime Python3 package for Linux and Mac.

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  1. qubekit/QUBEKit qubekit/QUBEKit Public

    Quantum Mechanical Bespoke Force Field Derivation Toolkit

    Python 98 34

  2. Helpers Helpers Public

    Small/one off functions which are useful but easy to forget or finicky

    Python

  3. ProjectEuler ProjectEuler Public

    Python

  4. Units Units Public

    Simple datatypes for keeping track of, and converting between units. Works with builtin types and numpy ndarrays.

    Python

0