{ "protocol_version": 1, "frozen_on": "2026-07-20", "purpose": "Prospective temporal and homology-cold absolute enzyme kinetics benchmark", "development_corpus": { "name": "UniKP/DLKcat kcat development corpus", "sha256": "13643b0b36374f8d3f64d8b014882cf1b3b58946eeaae2b9dcd59e8b2c2d6719", "size_bytes": 12132719, "rows": 17010, "record_level_citations_available": false }, "temporal_gate": { "primary_measurement_article_published_on_or_after": "2023-01-01", "deposit_date_alone_is_not_sufficient": true, "preprints_require_a_stable_doi_and_explicit_dataset_license": true }, "license_gate": { "accepted": [ "CC0-1.0", "CC-BY-4.0" ], "deposit_license_must_cover_the_measurement_table": true, "third_party_database_compilations_require_source_level_redistribution_rights": true }, "record_inclusion": { "direct_experimental_measurement": true, "accepted_endpoints": [ "kcat_s-1", "km_molar", "kcat_per_km_M-1_s-1" ], "primary_endpoint": "log10_kcat_s-1", "full_protein_sequence_or_unambiguous_accession_and_variant": true, "single_defined_substrate_with_structure_identifier": true, "required_provenance": [ "measurement_article_doi", "dataset_doi_or_stable_record_url", "source_file", "source_row_or_table_cell", "organism", "enzyme_identity", "substrate_name", "endpoint", "value", "unit", "assay_temperature_if_reported", "assay_pH_if_reported" ], "derived_kcat_requires_enzyme_concentration_and_documented_formula": true, "model_predictions_pseudolabels_and_relative_activity_are_excluded": true, "bulk_environmental_or_community_apparent_kinetics_are_excluded": true }, "leakage_gates": { "exact_sequence_substrate_overlap_with_development": 0, "mmseqs_min_identity": 0.3, "mmseqs_coverage": 0.8, "mmseqs_coverage_mode": 0, "exclude_all_sequences_with_development_hit": true, "publication_overlap": "exclude_when_known; report unavailable when development citations are absent", "substrate_exact_and_murcko_scaffold_overlap": "report_and_stratify" }, "diversity_and_size_gate": { "minimum_records": 300, "minimum_mmseqs_families": 30, "minimum_unique_substrates": 50, "maximum_records_per_family": 20, "minimum_records_per_reported_family_metric": 3 }, "freeze_policy": { "candidate_metadata_and_homology_may_be_audited_before_freeze": true, "model_predictions_are_prohibited_before_final_selection_freeze": true, "labels_may_not_drive_record_caps_or_family_selection": true, "primary_model_checkpoint_and_metrics_must_be_frozen_before_evaluation": true, "one_final_evaluation_only": true, "failed_readiness_gate_means_no_model_evaluation": true }, "planned_comparators": [ "train_mean", "morgan_mlp", "late_concat", "task_query", "DLKcat_when_training_overlap_is_reported_as_unavailable" ], "claim_boundary": "Until every readiness gate passes, collected records are a curation pool and not an external benchmark. No model may be selected or tuned from this pool." }