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Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor
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Achievement: Pair Extraordinairex3Achievement: QuickdrawAchievement: YOLOAchievement: Pull Sharkx3Achievement: Arctic Code Vault Contributor
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  1. amideImap amideImap Public

    Calculate amide I frequencies and couplings for specified (labeled) chromophores in a protein.

    C++

  2. calcWaterIR calcWaterIR Public

    GPU accelerated code to calculate the IR spectra of water according to Yang&Skinner 2010 PCCP

    C++ 1

  3. lammps lammps Public

    Forked from lammps/lammps

    Public development project of the LAMMPS MD software package

    C++

  4. mapForce mapForce Public

    Code to augment LAMMPS with a force field for vibrationally excited water molecules

    TeX 1