chemical-kinetics
There are 7 repositories under chemical-kinetics topic.
- Language:Python 581
- dna-3d-engine
pallada-92 / dna-3d-engine
3d engine implementation in DNA code!
- Language:C++ 184
copasi / COPASI
COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.
Language:C++ 105SUNCAT-Center / catmap
Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
Language:Python 103General purpose tools for high-throughput catalysis
Language:Python 96- Language:Julia 84
geem-lab / overreact
⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.
Language:Python 56- Language:Python 50
SciML / ReactionNetworkImporters.jl
Julia Catalyst.jl importers for various reaction network file formats like BioNetGen and stoichiometry matrices
Language:Julia 27libantioch / antioch
C++ Chemical Kinetics, Thermodynaimics, and Transport Library
Language:C++ 25KineticPreProcessor / KPP
The KPP kinetic preprocessor is a software tool that assists the computer simulation of chemical kinetic systems
Language:Fortran 23maneetgoyal / chemical-kinetics-predictor
A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Chemical Kinetics Database.
Language:HTML 21kmcos / kmcos
Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
Language:Fortran 20- Language:MATLAB 14
ReactionMechanismGenerator / T3
The Tandem Tool (T3) for automated chemical kinetic model development
Language:Python 14jeffrichardchemistry / pySiRC
Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.
Language:Python 12- Language:Python 11
JuntaoHuang / multiscale-chemical-reaction
This repo contains the code for the paper "Data-driven discovery of multiscale chemical reactions governed by the law of mass action"
Language:Python 10Gleb-Zaslavsky / KiThe
collection of RUST structures and functions useful for chemical kinetics, chemical thermodynamics, combustion, heat and mass transfer, shock tubes and so on and so far. Work in progress. Advices and contributions will be appreciated
Language:Rust 9wallytutor / CanteraPFR
Plug-flow reactor implemented with Cantera
Language:Python 9⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data
Language:Jupyter Notebook 8ctftamu / SL-GPS
Repository to create neural network architecture for dynamic chemistry reduction based on Global Pathway Selection
Language:Python 7SayYoungMan / EAF_modelling
MATLAB modelling of Electric Arc Furnace under continuous operation.
Language:MATLAB 7- Language:Python 7
comocheng / jax-reactor
Differentiable and hardware accelerated chemical kinetics simulations in python using JAX
Language:Python 6Kinetica-jl / Kinetica.jl
Automated chemical reaction networking with long-timescale kinetic simulations in Julia
Language:Julia 6konstantinosk31 / Chemical-Reaction-Simulator
The user inserts a chemical reaction and the programme outputs n(t), C(t) (if appropriate) and U(t) plots by simulating the reaction.
Language:JavaScript 6chicolucio / kinetics_generator
Generates chemical kinetics data.
Language:Jupyter Notebook 5- Language:Julia 4
- bioscillators.com
norregaarden / bioscillators.com
Exploring biological networks with javascript
Language:HTML 4 sbednarz / chemical-kinetics-simulator
An archive of source code of famous general-purpose, stand-alone stochastic chemical kinetics simulator (CKS)
Language:C++ 4- Language:Java 4
svarganov / NAST
Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes
Language:Fortran 4yanggaome / Extract-reaction-information-based-on-Python-Cantera
Extract all the reaction information
Language:Python 4- Language:Python 3
