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Working from home
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Working from home
13 followers · 3 following
  • UK

Achievements

Achievement: Pair Extraordinairex2Achievement: Pull Sharkx2Achievement: Quickdraw

Achievements

Achievement: Pair Extraordinairex2Achievement: Pull Sharkx2Achievement: Quickdraw

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shoubhikraj/README.md
  • 👋 Hi, I’m @ShoubhikRaj
  • 👀 I’m a PhD student in theoretical chemistry, studying C-H activation. I use machine learning as well.

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  1. UV_vis_project UV_vis_project Public

    Jupyter Notebook 1

  2. xtb-win-build xtb-win-build Public

    Aims to provide precompiled Windows binaries for xTB, xtb4stda and stda softwares developed by Grimme group

    2

  3. gromacs-windows gromacs-windows Public

    Precompiled Windows binaries for GROMACS

    11 3

  4. water-order water-order Public

    A fast, OpenMP parallelised C++ package that calculates the radial distribution of various local order parameters for water droplets from MD trajectories.

    C++ 3 1