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    5 repositories

    • 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
      •0•0•0•0•Updated Dec 9, 2025Dec 9, 2025

    • BIG-MD

      Public
      Cloud based all-atom molecular dynamics simulation tutorial for beginners
      Jupyter Notebook
      •0•1•0•0•Updated Jun 4, 2025Jun 4, 2025

    • nanorod-shape-optim

      Public
      Data and code to predict and inverse design the shape of silica-coated gold nanorods.
      Jupyter Notebook
      •
      MIT License
      •1•0•0•0•Updated Dec 6, 2023Dec 6, 2023

    • lammps-mspin

      Public
      LAMMPS plugin for magnetic nanoparticles simulation with atomistic resolution
      C++
      •
      GNU General Public License v2.0
      •3•8•0•0•Updated Jan 20, 2023Jan 20, 2023

    • flory_fox_scraper

      Public
      Program to (a) scrape information on glass transition temperatures of polymers and (b) perform a Flory-Fox fit.
      Python
      •
      Other
      •4•9•1•1•Updated Aug 30, 2021Aug 30, 2021
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