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17 search results found

⚗ A package useful for chemistry written in Python

Dna 3d Engine ⭐ 193

3d engine implementation in DNA code!

Reaktoro ⭐ 138

a unified framework for modeling chemically reactive systems

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

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

Chemical Reaction Neural Network

General purpose tools for high-throughput catalysis

Overreact ⭐ 45

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

Reactionnetworkimporters.jl ⭐ 25

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

Reactorch ⭐ 21

A Differentiable Reacting Flow Simulation Package in PyTorch

C++ Chemical Kinetics, Thermodynaimics, and Transport Library

The KPP kinetic preprocessor is a software tool that assists the computer simulation of chemical kinetic systems

The Tandem Tool (T3) for automated chemical kinetic model development

Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.

Overreact Guide ⭐ 6

⚛️📈 Create and analyze chemical microkinetic models built from computational chemistry data

Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.

Gillespie ⭐ 5

Gillespie Stochastic Simulation Algorithm

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