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    8 repositories

    • lammps

      Public
      Public development project of the LAMMPS MD software package
      C++
      •
      GNU General Public License v2.0
      •2k•3•0•0•Updated Feb 17, 2026Feb 17, 2026

    • cmc-tools

      Public
      A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum
      Python
      •
      MIT License
      •2•16•1•0•Updated Jan 28, 2026Jan 28, 2026

    • pylmps_rel

      Public
      pylmps (lammps wrapper in Python) release version
      Python
      •
      MIT License
      •0•0•0•0•Updated Jul 8, 2022Jul 8, 2022

    • molsys_rel

      Public
      release version of molsys
      Python
      •
      MIT License
      •0•0•0•0•Updated Jul 8, 2022Jul 8, 2022

    • 3Dmol.js

      Public
      WebGL accelerated JavaScript molecular graphics library
      Jupyter Notebook
      •
      Other
      •218•0•0•0•Updated Jan 26, 2022Jan 26, 2022

    • mofplus_rel

      Public
      release repository for mofplus (database connections)
      Python
      •
      MIT License
      •0•0•0•0•Updated Nov 15, 2021Nov 15, 2021

    • lammps_interface

      Public
      automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
      Python
      •
      MIT License
      •75•2•0•0•Updated May 16, 2021May 16, 2021

    • MOFplus.github.io

      Public
      Documentation
      HTML
      •0•0•0•0•Updated Mar 16, 2021Mar 16, 2021
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