chemical-kinetics topic

⚗ A package useful for chemistry written in Python

bjodah

3d engine implementation in DNA code!

pallada-92

a unified framework for modeling chemically reactive systems

reaktoro

COPASI is a software application for simulation and analysis of biochemical networks and their dynamics.

copasi

General purpose tools for high-throughput catalysis

SUNCAT-Center

Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening

SUNCAT-Center

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data. Crafted at the @geem-lab.

geem-lab

Julia Catalyst.jl importers for various reaction network file formats like BioNetGen and stoichiometry matrices

SciML

C++ Chemical Kinetics, Thermodynaimics, and Transport Library

libantioch

A data-driven tool to predict the reaction order of homogeneous gas-phase reactions. Includes machine learning experiments on the NIST Chemical Kinetics Database.

maneetgoyal