chemicalchecker.util.plot.plot.Plot

class Plot(dataset, plot_path, validation_path=None, svg=True)[source]

Bases: object

Plot class.

Produce different kind of plots.

Initialize a Plot instance.

Produce all kind of plots and data associated

Parameters:

  • dataset (str) – A Dataset object or the dataset code.

  • plot_path (str) – Final destination for the new plot and other stuff.

  • validation_path (str) – Directory where validation stats are found.

Methods

cc_colors

clustering_plot

datashader_projection

exp_error

get_same_different

Return pairs of SAME and DIFFERENT molecules from validation set.

label_validation

matrix_plot

projection_gaussian_kde

projection_plot

projection_plot_other

quick_sign_pred_vs_true_scatter

roc_curve_plot

sign2_grid_search_plot

sign2_prediction_plot

sign3_adanet_comparison

sign3_conf_scores

sign3_confidences

sign3_crosspred_comparison

sign3_novelty_confidence

sign_component_correlation

sign_feature_distribution_plot

variance_plot

vector_validation

get_same_different(sign, prefix, mappings=None, max_diff=5)[source]

Return pairs of SAME and DIFFERENT molecules from validation set.