pyMechOpt: A Python toolbox for optimizing of reaction mechanisms
This paper introduces pyMechOpt, an open-source Python package designed for the optimization of chemical reaction mechanisms. The package implements a range of optimization methods, including conventional algorithms such as genetic algorithms (GA) and particle swarm optimization (PSO), as well as in...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2025-02-01
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| Series: | SoftwareX |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352711024003716 |