Repositories list

• toppar_c36_releases

  Public
  Rich Text Format

  •00 forks•22 stars•00 issues•00 pull requests•Updated Apr 1, 2026Apr 1, 2026

• cgenff_charmm2gmx

  Public
  Python scripts to convert CGenFF stream files to GROMACS format

  Python

  •

  MIT License

  •1313 forks•5050 stars•00 issues•00 pull requests•Updated Dec 12, 2025Dec 12, 2025

• drude_silcs_scripts

  Public
  Scripts to run in house protocol of SILCS with the Drude polarizable FF in the absence of GCMC/MD

  Shell

  •11 fork•00 stars•11 issue•00 pull requests•Updated Dec 2, 2025Dec 2, 2025

• tupa

  Public
  TUPÃ was developed to analyze electric field properties in molecular simulations

  Python

  •

  GNU General Public License v3.0

  •66 forks•00 stars•00 issues•00 pull requests•Updated Aug 29, 2025Aug 29, 2025

• westpa_drude

  Public
  WESTPA-Drude implementation

  Python

  •

  GNU General Public License v3.0

  •00 forks•33 stars•00 issues•00 pull requests•Updated Aug 13, 2025Aug 13, 2025

• gamd_livecoms_tutorial

  Public
  TeX

  •11 fork•44 stars•00 issues•00 pull requests•Updated Jul 8, 2025Jul 8, 2025

• gmx_tutorials_jpcb

  Public
  Input files for GROMACS tutorials written for the Journal of Physical Chemistry B

  Raku

  •

  MIT License

  •55 forks•2424 stars•00 issues•00 pull requests•Updated Jul 21, 2024Jul 21, 2024

• gamd-openmm-charmm-drude

  Public
  Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. …

  Python

  •

  MIT License

  •2525 forks•11 star•00 issues•00 pull requests•Updated Apr 3, 2023Apr 3, 2023

• .github

  Public
  00 forks•11 star•00 issues•00 pull requests•Updated Mar 19, 2023Mar 19, 2023