Gillespie Stochastic Simulation Algorithm
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Updated
Jun 29, 2013 - MATLAB
Gillespie Stochastic Simulation Algorithm
An archive of source code of famous general-purpose, stand-alone stochastic chemical kinetics simulator (CKS)
Extract all the reaction information
ASALI is an open-source software for solving gas thermodynamic and transport properties, catalytic reactors and chemical equilibrium calculations.
Simulation/computation models created for optical physics research
Sum Over Histories Representation.
Plug-flow reactor implemented with Cantera
A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Chemical Kinetics Database.
Generates chemical kinetics data.
Python library for optimizing HyChem model parameters
3d engine implementation in DNA code!
Differentiable and hardware accelerated chemical kinetics simulations in python using JAX
Gillespie Algorithm - Stochastic Simulation of Chemical Reactions
The pSSAlib provides a complete and concise implementation of the most efficient partial-propensity methods for exact stochastic chemical kinetics.
Computer Modeling in Chemical Technology - Scilab worked examples
A brief introduction to chemical kinetics
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
Interactive chemical kinetics experiment. Goal is to determine the the partial orders of the given reaction (reactions are not simple reactions).
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