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cinnabar documentation

  • Installation
  • Core Concepts
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  • Installation
  • Core Concepts
  • Tutorials
  • API Documentation
  • Release history

Section Navigation

  • classification_metrics
    • compute_fraction_best_ligands
  • cinnabar.cli
    • main
  • conversion
    • convert_observable
  • estimators
    • Estimator
    • EstimatorResult
    • MLEEstimator
    • MLEEstimatorResult
    • TYPE_CHECKING
  • femap
    • read_csv
    • CSVData
    • FEMap
    • TYPE_CHECKING
  • measurements
    • Measurement
    • ReferenceState
  • plotlying
    • plot_bar
  • plotting
    • ecdf_plot
    • ecdf_plot_DDGs
    • ecdf_plot_DGs
    • ecdf_plot_all_DDGs
    • pair_plot
    • plot_DDGs
    • plot_DGs
    • plot_all_DDGs
    • plot_cycle_closure
  • stats
    • bootstrap_statistic
    • calculate_kendalls_tau
    • calculate_mue
    • calculate_nrmse
    • calculate_pearson_r
    • calculate_predictive_index
    • calculate_r2
    • calculate_rae
    • calculate_rmse
    • form_edge_matrix
    • mle
  • API Documentation
  • classification_metrics

classification_metrics#

Functions

compute_fraction_best_ligands

Compute the fraction of the best ligands metric introduced by Chris Bayly.

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compute_fraction_best_ligands

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