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@camm Center for Accelerating Materials Modeling

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    9 repositories

    • sassena

      Public
      Sassena — X-ray and neutron scattering calculated from molecular dynamics trajectories using massively parallel computers
      C++
      •11•1•5•0•Updated Jul 22, 2017Jul 22, 2017

    • fast_protein_cluster

      Public
      GPU and SIMD accelerated RMSD and TMScore based clustering of protein models
      C++
      •
      MIT License
      •6•1•1•0•Updated Dec 22, 2016Dec 22, 2016

    • SHUG2015

      Public
      tutorial on refining molecular dynamics force-fields for the SHUG 2015 meeting
      Python
      •
      MIT License
      •0•0•0•0•Updated Oct 25, 2015Oct 25, 2015

    • vizmdend

      Public
      AMBER mdend file inspector
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 20, 2015Apr 20, 2015

    • code

      Public
      save personal and group code
      Python
      •0•0•8•0•Updated Apr 2, 2015Apr 2, 2015

    • ipython

      Public
      notebook and ipython scripts
      Python
      •
      MIT License
      •0•0•0•0•Updated Sep 18, 2014Sep 18, 2014

    • documents

      Public
      organization and personal documents (presentations, figures,...)
      Python
      •0•0•1•0•Updated May 1, 2014May 1, 2014

    • dsfinterp

      Public
      Cubic Spline Interpolationf of Dynamics Structure Factors S(Q,E,f) as a function of a parameter "f"
      Python
      •
      MIT License
      •0•0•2•0•Updated Feb 12, 2014Feb 12, 2014

    • workflows

      Public
      workflows to accelerate diverse modelling tasks
      0•0•1•0•Updated Aug 15, 2013Aug 15, 2013