pyomeca
pyomeca: An Open-Source Framework for Biomechanical Analysis - Published in JOSS (2020)
reactionmechanismgenerator
Python version of the amazing Reaction Mechanism Generator (RMG).
Kinetics Toolkit
Kinetics Toolkit: An Open-Source Python Package to Facilitate Research in Biomechanics - Published in JOSS (2021)
https://github.com/bio-phys/pydhamed
Dynamic Histogram Analysis To Determine Free Energies and Rates from Biased Simulations
accelstab
This package utilises the Šesták–Berggren equation alongside the Arrhenius equation to make a simple and consistent way for a user to carry out the calculations and predictions required by accelerated stability studies.
https://github.com/bio-phys/kinetics-remd
Extracting kinetics from replica exchange molecular dynamics and related methods that produce discontinuous trajectories.
KinOpt: A Python package for chemical kinetics analysis and optimization
KinOpt: A Python package for chemical kinetics analysis and optimization - Published in JOSS (2026)
