bblean.plotting

Plotting and visualization convenience functions

Functions

summary_plot	Create a summary plot from a cluster analysis
tsne_plot	Create a t-SNE plot from a cluster analysis
umap_plot	Create a UMAP plot from a cluster analysis
pops_plot	Distrubution of cluster populations using KDE
pca_plot	Create a t-SNE plot from a cluster analysis
dump_mol_images	Dump smiles associated with a specific cluster as *.png image files

bblean.plotting.summary_plot(c, /, title=None, counts_ylim=None, annotate=True)

Create a summary plot from a cluster analysis

If the analysis contains scaffolds, a scaffold analysis is added to the plot

bblean.plotting.tsne_plot(c, /, title=None, seed=42, perplexity=30, workers=None, scaling='normalize', exaggeration=None, do_pca_init=True, multiscale=False, pca_reduce=None, metric='euclidean', dof=1.0)

Create a t-SNE plot from a cluster analysis

bblean.plotting.umap_plot(c, /, title=None, scaling='normalize', n_neighbors=15, min_dist=0.1, metric='euclidean', densmap=False, workers=None, deterministic=False)

Create a UMAP plot from a cluster analysis

bblean.plotting.pops_plot(c, /, title=None)

Distrubution of cluster populations using KDE

bblean.plotting.pca_plot(c, /, title=None, scaling='normalize', whiten=False)

Create a t-SNE plot from a cluster analysis

bblean.plotting.dump_mol_images(smiles, clusters, cluster_idx=0, batch_size=30)

Dump smiles associated with a specific cluster as *.png image files