High dimensional data + Dimensionality reduction

  • Chemical Space dataviz: Visualizing chemical space networks with RDKit and NetworkX (standalone)
    Code Last Commit Publication
  • ChemTreeMap: ChemTreeMap: an interactive map of biochemical similarity in molecular datasets
    Publication Link
  • 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.
    Link
  • t-SNE:
    Link
  • ugtm: a python package for Generative Topographic Mapping (GTM) - dataviz - classification - regression (standalone)
    Code Last Commit Publication
  • UMAP: Uniform Manifold Approximation and Projection
    Publication Link