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    • lammps

      Public
      Public development project of the LAMMPS MD software package
      C++
      GNU General Public License v2.0
      1.8k200Updated Dec 20, 2024Dec 20, 2024
    • cmc-tools

      Public
      A tool collection of the Computational Materials Chemistry group at the Ruhr-University Bochum
      Shell
      MIT License
      2900Updated Jul 11, 2022Jul 11, 2022
    • pylmps (lammps wrapper in Python) release version
      Python
      MIT License
      0000Updated Jul 8, 2022Jul 8, 2022
    • release version of molsys
      Python
      MIT License
      0000Updated Jul 8, 2022Jul 8, 2022
    • 3Dmol.js

      Public
      WebGL accelerated JavaScript molecular graphics library
      Jupyter Notebook
      Other
      196000Updated Jan 26, 2022Jan 26, 2022
    • release repository for mofplus (database connections)
      Python
      MIT License
      0000Updated Nov 15, 2021Nov 15, 2021
    • automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
      Python
      MIT License
      69200Updated May 16, 2021May 16, 2021
    • Documentation
      HTML
      0000Updated Mar 16, 2021Mar 16, 2021