Algorithms: Implement compound clustering - Githubissues

OpenFreeEnergy / konnektor

Algorithms for various Network Layouts and Tooling for planning FE Calculations

https://konnektor.readthedocs.io/

MIT License

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Algorithms: Implement compound clustering #15

Closed RiesBen closed 6 months ago

RiesBen commented 9 months ago

Implement different Clustering Algorithms:

allow featurization and clustering in one go.