sea_urchin

Project information

Sea Urchin is an algorithm that combines dimensionality reduction (UMAP), unsupervised hierarchical clustering (HDBSCAN) and structural alignment (FASTOVERLAP) to quantitatively characterize prevalent coordination environments of chemical species within MD data.

Lammps molecular dy... unsupervised...

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Apache License 2.0
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Created on

November 26, 2024

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