autofragment.algorithms.seeding
Seeding strategies for k-means initialization.
Provides pluggable strategies that generate initial centroids to guide k-means clustering toward physically meaningful molecular partitions.
Each strategy takes an (N, 3) array of molecular centroids and the desired number of clusters, returning an (n_clusters, 3) array of seed positions.
Functions
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Compute initial centroid seeds for k-means. |
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Look up a seeding strategy by name. |