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Top 4 chemical-kinetics open source projects

A Differentiable Reacting Flow Simulation Package in PyTorch

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python Jupyter Notebook pytorch combustion chemical-kinetics kinetics fluid-dynamics scientific-machine-learning

General purpose tools for high-throughput catalysis

✭ 48

python computational-chemistry chemical-engineering chemical-kinetics combinatorics materials-science materials-informatics catalyst chemical-reaction-networks catalysis-informatics

Chemical Reaction Neural Network

✭ 43

julia python chemical-kinetics neural-ode sciml

ReactionNetworkImporters.jl

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

✭ 21

julia biology chemical-kinetics differential-equations chemical-reactions gillespie-algorithm

1-4 of 4 chemical-kinetics projects