qdk_chemistry.ui package

MCP Server and CLI for the QDK/Chemistry Toolkit.

Submodules

• qdk_chemistry.ui._mcp module
  • require_mcp()
• qdk_chemistry.ui.cli module
  • compute_valence_space_parameters()
  • load_data_object()
  • save_data_object()
  • create_majorana_mapping()
  • create_model_hamiltonian()
  • create_spin_model_hamiltonian()
  • create_structure()
  • describe_backend()
  • get_active_space_indices()
  • get_algorithm_default_settings()
  • get_algorithm_default_type()
  • get_ansatz()
  • get_orbitals_from_input()
  • get_top_configurations()
  • list_cache_backends()
  • list_remote_backends()
  • run_active_space_selector()
  • run_circuit_executor()
  • run_controlled_evolution_circuit_mapper()
  • run_dynamical_correlation_calculator()
  • run_energy_estimator()
  • run_hamiltonian_constructor()
  • run_multi_configuration_calculation()
  • run_multi_configuration_scf()
  • run_orbital_localization()
  • run_phase_estimation()
  • run_projected_multi_configuration_calculation()
  • run_qubit_hamiltonian_solver()
  • run_qubit_mapper()
  • run_scf()
  • run_stability_checker()
  • run_state_preparation()
  • run_time_evolution_builder()
  • resolve_project_path()
  • parse_json_arg()
  • format_output()
  • cmd_plugin()
  • cmd_scf()
  • cmd_active_space()
  • cmd_localize()
  • cmd_correlate()
  • cmd_stability()
  • cmd_hamiltonian()
  • cmd_model_hamiltonian()
  • cmd_spin_model()
  • cmd_majorana_mapping()
  • cmd_casci()
  • cmd_mcscf()
  • cmd_sparse_ci()
  • cmd_qubit_map()
  • cmd_state_prep()
  • cmd_qubit_solve()
  • cmd_energy()
  • cmd_qpe_build_evolution()
  • cmd_qpe_map_circuit()
  • cmd_qpe_execute()
  • cmd_qpe()
  • cmd_defaults()
  • cmd_list_algorithms()
  • cmd_list_cache_backends()
  • cmd_list_remote_backends()
  • cmd_describe_backend()
  • cmd_data_summary()
  • cmd_data_convert()
  • cmd_data_get_orbitals()
  • cmd_data_get_active_space_indices()
  • cmd_data_get_ansatz()
  • cmd_data_get_top_configurations()
  • cmd_data_create_structure()
  • cmd_data_get_energy()
  • cmd_data_get_structure_xyz()
  • cmd_data_get_circuit_qasm()
  • cmd_data_get_circuit_stats()
  • cmd_data_get_qubit_hamiltonian_info()
  • cmd_data_get_stability_result()
  • cmd_data_get_qpe_result()
  • cmd_utils_list_projects()
  • cmd_utils_create_project()
  • cmd_utils_list_files()
  • cmd_utils_convert_coordinates()
  • cmd_utils_convert_energy()
  • cmd_utils_compute_valence_params()
  • cmd_utils_resolve_phase_energy()
  • cmd_workflow()
  • cmd_describe()
  • cmd_list_commands()
  • cmd_remote_run()
  • create_parser()
  • main()
• qdk_chemistry.ui.config module
  • QDKMCPConfig
    • QDKMCPConfig.__init__()
    • QDKMCPConfig.set_workspace_root()
• qdk_chemistry.ui.io module
  • current_project_dir()
  • resolve_project_file()
  • check_output_path_exists()
  • check_output_exists()
  • load_data_object()
  • save_data_object()
• qdk_chemistry.ui.mcp module
  • main()
• qdk_chemistry.ui.plugin_installer module
  • require_mcp()
  • PluginInstallError
  • plugin_names()
  • install_plugin()
  • update_plugin()
  • update_all_plugins()
  • rebind_plugin()
• qdk_chemistry.ui.tools module
  • available_backends()
  • get_mcp_safe_config_options()
  • available_caches()
  • resolve_cache()
  • FolderCache
    • FolderCache.name
    • FolderCache.__init__()
    • FolderCache.get_job()
    • FolderCache.put_job()
    • FolderCache.get_data()
    • FolderCache.put_data()
    • FolderCache.has_data()
    • FolderCache.to_config()
    • FolderCache.delete_job()
    • FolderCache.delete_data()
    • FolderCache.clear()
  • Job
    • Job.job_id
    • Job.backend
    • Job.backend_config
    • Job.backend_state
    • Job.algorithm_info
    • Job.status
    • Job.submitted_at
    • Job.file_path
    • Job.run_hash
    • Job.input_hashes
    • Job.output_hashes
    • Job.output_is_tuple
    • Job.owner
    • Job.__init__()
    • Job.to_dict()
    • Job.save()
    • Job.load()
    • Job.discover()
    • Job.attach_backend()
    • Job.detach_backend()
    • Job.check()
    • Job.cancel()
    • Job.fetch()
    • Job.cleanup()
    • Job.wait()
    • Job.is_terminal
    • Job.is_successful
  • compute_valence_space_parameters()
  • check_output_exists()
  • check_output_path_exists()
  • load_data_object()
  • save_data_object()
  • FilenameFormatError
  • current_project_name()
  • ensure_filename_format()
  • resolve_project_file()
  • resolve_project_path()
  • strip_filename_path()
  • validate_project()
  • current_workspace_root()
  • workspace_binding_middleware()
  • register_visualization_tools()
  • bind_workspace()
  • list_algorithms()
  • describe_algorithm()
  • list_cache_backends()
  • list_remote_backends()
  • list_projects()
  • create_project()
  • list_project_files()
  • get_summary()
  • list_tools()
  • convert_coordinates()
  • convert_energy()
  • describe_backend()
  • create_structure()
  • get_algorithm_default_type()
  • get_algorithm_default_settings()
  • get_orbitals_from_input()
  • get_active_space_indices()
  • get_ansatz()
  • run_active_space_selector()
  • run_dynamical_correlation_calculator()
  • run_hamiltonian_constructor()
  • create_model_hamiltonian()
  • create_spin_model_hamiltonian()
  • run_orbital_localization()
  • run_stability_checker()
  • run_term_grouper()
  • run_amplitude_amplification()
  • run_hadamard_test()
  • run_evolution_circuit_builder()
  • run_hamiltonian_simulation()
  • run_qubit_hamiltonian_solver()
  • run_energy_estimator()
  • create_majorana_mapping()
  • run_qubit_mapper()
  • run_state_preparation()
  • estimate_circuit()
  • run_time_evolution_builder()
  • run_controlled_evolution_circuit_mapper()
  • run_circuit_executor()
  • run_phase_estimation()
  • run_scf()
  • run_population_analysis()
  • run_nuclear_derivative_calculator()
  • run_geometry_optimization()
  • run_multi_configuration_calculation()
  • run_multi_configuration_scf()
  • run_projected_multi_configuration_calculation()
  • get_top_determinants()
  • get_top_configurations()
  • get_circuit_stats()
  • check_remote_job()
  • retrieve_remote_results()
  • list_remote_jobs()
  • cancel_remote_job()
• qdk_chemistry.ui.validation module
  • class_data_type_name()
  • current_project_name()
  • current_project_dir()
  • strip_filename_path()
  • resolve_project_file()
  • FilenameFormatError
  • resolve_project_path()
  • ensure_filename_format()
  • validate_project()
  • is_project_valid()
• qdk_chemistry.ui.visualization module
  • load_data_object()
  • strip_filename_path()
  • validate_project()
  • register_visualization_tools()
• qdk_chemistry.ui.workspace module
  • current_workspace_root()
  • configure_workspace()
  • bind_workspace()
  • workspace_binding_middleware()