High dimensional data + Dimensionality reduction

  • Chemical Space dataviz: Visualizing chemical space networks with RDKit and NetworkX (standalone)
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  • ChemTreeMap:
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  • TMAP: A new data visualization method, TMAP, capable of representing data sets of up to millions of data points and arbitrary high dimensionality as a two-dimensional tree.
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  • t-SNE:
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  • ugtm: a python package for Generative Topographic Mapping (GTM) - dataviz - classification - regression (standalone)
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  • UMAP: Uniform Manifold Approximation and Projection
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