Quantum protein folding

Contents:

  • Module Reference
    • Core modules
    • Backend
    • Builder
    • Contact
    • Distance
    • Interaction
    • Logger
    • Protein
    • Result
    • Utils
Quantum protein folding
  • Module Reference
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Module Reference

This section provides an overview of the project’s Python modules, organized by functionality to make navigation easier. Each module reference contains descriptions of the main classes, functions, and their roles within the quantum protein folding framework.

  • Core modules
    • Constants
    • Enums
    • Exceptions
    • Main
  • Backend
    • _get_ibm_quantum_sampler()
    • _get_local_statevector_sampler()
    • get_sampler()
    • TranspilingSampler
  • Builder
    • HamiltonianBuilder
  • Contact
    • ContactMap
  • Distance
    • DistanceMap
  • Interaction
    • HP matrix file format
    • HP Symmetry / Energies
    • HPInteraction
    • Interaction
    • MJ matrix format assumptions
    • MJInteraction
  • Logger
    • get_logger()
  • Protein
    • Protein
    • Subpackage: bead
    • Subpackage: chain
  • Result
    • BeadPosition
    • SparseVQEOutput
    • Subpackage: interpreter
    • Subpackage: visualizer
  • Utils
    • _calc_updated_coeffs()
    • _preset_binary_vals()
    • _preset_single_binary_val()
    • build_identity_op()
    • build_pauli_z_operator()
    • build_turn_qubit()
    • convert_to_qubits()
    • find_unused_qubits()
    • fix_qubits()
    • pad_to_n_qubits()
    • remove_unused_qubits()
    • create_xyz_file()
    • read_xyz_file()
    • sanitize_for_json()
    • build_and_compress_hamiltonian()
    • run_vqe_optimization()
    • setup_folding_system()
    • setup_result_analysis()
    • setup_vqe_optimization()

Note

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© Copyright 2025, Lucjan Gackowski, Gracjan Żukowski, Stefan Furmański, Anna Sztukowska.

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