GBGA.jl

A work in progress.

Graph Based Genetic Algorithm in Julia via MolecularGraph.jl

Q) Why (re)implement this in Julia?

A) Performance! 🚀

References

Jensen, J. H. (2019). A graph-based genetic algorithm and generative model/Monte Carlo tree search for the exploration of chemical space. Chemical Science, 10(12), 3567–3572. https://doi.org/10.1039/C8SC05372C

https://github.com/jensengroup/GB-GA

Brown, N., McKay, B., Gilardoni, F., Gasteiger, J. (2004). A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules. Journal of Chemical Information and Computer Sciences, 44(3), 1079–1087. https://doi.org/10.1021/ci034290p