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    • AmberGO

      Public
      AMBER-compatible graphene oxide models, parameters, and charge sets for simulations. Includes GO structures with varying oxidation levels, AMBER frcmod files, a…
      GNU General Public License v3.0
      0000Updated Dec 9, 2025Dec 9, 2025
    • BIG-MD

      Public
      Cloud based all-atom molecular dynamics simulation tutorial for beginners
      Jupyter Notebook
      0100Updated Jun 4, 2025Jun 4, 2025
    • Data and code to predict and inverse design the shape of silica-coated gold nanorods.
      Jupyter Notebook
      MIT License
      1000Updated Dec 6, 2023Dec 6, 2023
    • LAMMPS plugin for magnetic nanoparticles simulation with atomistic resolution
      C++
      GNU General Public License v2.0
      3800Updated Jan 20, 2023Jan 20, 2023
    • Program to (a) scrape information on glass transition temperatures of polymers and (b) perform a Flory-Fox fit.
      Python
      Other
      4911Updated Aug 30, 2021Aug 30, 2021
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