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Molecular-scale reaction simulation project for APC524 Fall 2024.

Next steps:

(1) add tests and continous integration.

(2) add another molecule type and color code on animation.

(3) add reaction A + B --> C and create additional plot showing fraction of A, B, and C vs time.

(4) compare with stochastic and macroscopic results.

(5) add parallelization and more strategic object-oriented programming.

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Molecular-scale reaction simulation project for APC524.

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  • Python 100.0%