Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)

A Machine Learned Molecular Mechanics Force Field with integration into GROMACS and OpenMM

KIMMDY plugin for the GRAPPA parameterizer

KIMMDY HAT reaction plugin with fixed rate

Builtin reactions for KIMMDY

Building collagen fibrils from amino acids sequences

Stress Induced Traversal of Hessian analysis, a refactorization of JEDI to analyze distribution of energy in molecules under a stress force.

Package to convert structures from g09 logfiles to gromacs convertible pdb files