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yasminshamsudin/README.md
  • 👋 Hi, I’m @yasminshamsudin
  • 👀 I’m interested in simulating small and large molecules
  • 🌱 I’m currently learning how to use python properly to extract lots of (big) data
  • 💞️ I’m looking to collaborate on science and methods development
  • 📫 Learn more about my research at https://lab.yasminshamsudin.com

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  1. F F Public

    A program for calculating electric fields in biological systems

    Python

  2. boxer-solvatochrom boxer-solvatochrom Public

    Automation of the traditional Boxer lab solvatochromism workflow

    Shell

  3. Q Q Public

    Scripts used with the Q MD program developed in the Åqvist lab

    Fortran

  4. amber amber Public

    A repository for input and parameter files for MD simulations in AMBER

    1

  5. schrodinger schrodinger Public

    Schrodinger molecular modeling suite - tutorials and scripts

    Shell 6 1

  6. gaussian gaussian Public

    Scripts for running the computational chemistry program GAUSSIAN

    GAP