An archive of source code of famous general-purpose, stand-alone stochastic chemical kinetics simulator (CKS)
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May 13, 2016 - C++
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chemical-kinetics-simulator
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Data used for testing overreact. Includes data related to a manuscript in preparation.
python library chemistry computational-chemistry compchem chemical-kinetics thermochemistry vibrational-entropies overreact quasi-harmonic-approximation catalysis quasi-harmonic chemical-kinetics-simulator rrho computational-chemistry-logfiles
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Feb 16, 2023
A Python-based toolkit for simulating and visualizing complex chemical equilibria, featuring interactive perturbations and real-time kinetic analysis.
python chemistry simulation jupyter-notebook computational-chemistry scientific-computing scipy matplotlib chemical-kinetics numerical-methods ode-solver chemical-equilibrium le-chatelier chemical-kinetics-simulator scientific-computing-with-python
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Dec 18, 2025 - Jupyter Notebook
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