pinder.eval package

Subpackages

• pinder.eval.clashes package
  • Module contents
    • count_pinder_clashes()
    • count_clashes()
• pinder.eval.dockq package
  • Submodules
  • pinder.eval.dockq.biotite_dockq module
    • get_irmsd_interface()
    • DecoyDockQ
      • DecoyDockQ.get_metrics()
      • DecoyDockQ.get_lrmsd()
      • DecoyDockQ.get_irmsd()
      • DecoyDockQ.get_decoy_contacts()
    • BiotiteDockQ
      • BiotiteDockQ.calculate()
      • BiotiteDockQ.get_native_contacts()
      • BiotiteDockQ.prepare_inputs()
      • BiotiteDockQ.read_decoys()
      • BiotiteDockQ.create_decoy_stack()
      • BiotiteDockQ.set_common()
  • pinder.eval.dockq.method module
    • InvalidChainsError
    • TooFewChainsError
    • ExpectedChainsNotFoundError
    • validate_system_id()
    • get_valid_eval_systems()
    • SubsetIds
      • SubsetIds.count
      • SubsetIds.ids
    • get_expected_counts()
    • summarize_valid_systems()
    • download_entry()
    • get_eval_metrics()
    • safe_get_eval_metrics()
    • get_eval_metrics_all_methods()
    • get_method_eval_metrics()
    • add_pinder_set()
    • get_missing_system_penalty_metrics()
    • CapriClass
    • MethodMetrics
      • MethodMetrics.metrics
      • MethodMetrics.add_rank_column()
      • MethodMetrics.get_metrics()
      • MethodMetrics.oracle_median_summary()
      • MethodMetrics.get_leaderboard_entry()
      • MethodMetrics.median_oracle()
      • MethodMetrics.get_hit_rates()
      • MethodMetrics.top_k()
      • MethodMetrics.top_k_oracle()
      • MethodMetrics.top_percentile()
      • MethodMetrics.system_oracle()
      • MethodMetrics.system_median()
      • MethodMetrics.method_median()
      • MethodMetrics.method_oracle()
      • MethodMetrics.system_capri_hit_rate()
      • MethodMetrics.median_capri_hit_rate()
      • MethodMetrics.histogram_plot()
  • pinder.eval.dockq.metrics module
    • get_interface_mask()
    • calc_irmsd()
    • get_receptor_masks()
    • calc_lrmsd()
    • calc_fnat()
    • get_dockq_score()
    • capri_class()
  • pinder.eval.dockq.unbound module
    • get_db4_difficulty()
    • fnat_unbound_summary()
    • get_corresponding_residues()
    • filter_interface_intersect()
    • get_unbound_interface_metrics()
    • get_unbound_difficulty()
    • get_apo_monomer_difficulty()
  • Module contents

Submodules

pinder.eval.create_submission module

pinder.eval.create_submission.main(argv: list[str] | None = None) → None

pinder.eval.run module

pinder.eval.run.main() → None

Module contents

Namespace package root for pinder-eval.