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    7 repositories

    • Publications

      Public
      This repository contains links to the publications and to the corresponding archives of simulation data.
      0•1•0•0•Updated Dec 18, 2024Dec 18, 2024

    • Diff-MD

      Public
      Differentiable molecular dynamics in JAX
      Python
      •
      GNU Lesser General Public License v3.0
      •1•0•0•0•Updated Nov 28, 2024Nov 28, 2024

    • HyMD

      Public
      Massively parallel hybrid particle-field molecular dynamics in Python.
      chemistryphysicsmolecular-dynamicscoarse-grainedhybrid-particle-field
      Python
      •
      GNU Lesser General Public License v3.0
      •7•26•27•0•Updated Sep 6, 2024Sep 6, 2024

    • Diff-HyMD

      Public
      Differentiable particle-field molecular dynamics in JAX
      Python
      •
      GNU Lesser General Public License v3.0
      •1•6•0•0•Updated Mar 25, 2024Mar 25, 2024

    • gmx2HyMD

      Public
      Conversion utility for HyMD
      Python
      •
      GNU Lesser General Public License v3.0
      •0•2•0•0•Updated Mar 25, 2024Mar 25, 2024

    • plumed-sans

      Public
      Fork of plumed 2 containing the implementation of SANS with resolution function.
      C++
      •
      GNU Lesser General Public License v3.0
      •296•0•0•0•Updated May 11, 2023May 11, 2023

    • HyMD-tutorial

      Public
      Tutorial examples for HylleraasMD
      molecular-dynamicscoarse-grainedhybrid-particle-field
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•5•0•0•Updated Dec 21, 2021Dec 21, 2021