qdk_chemistry.remote.backends package

Remote execution backends for QDK/Chemistry.

This package provides pluggable backends for executing algorithms on remote systems. Each backend implements the upload/execute/download pattern for transferring data and running generated Python scripts.

Built-in backend:

  • local: Local subprocess execution and reference implementation

Plugin packages should register custom backends through QdkChemistryPlugin and the qdk_chemistry.plugins entry-point group. The @register_backend decorator remains available for direct registration.

qdk_chemistry.remote.backends.available_backends()

Return list of registered backend names.

Return type:

list[str]

qdk_chemistry.remote.backends.create_remote(name, **config)

Create a configured remote backend instance.

Parameters:

  • name (str) – Backend name (e.g., “custom” or “local”)

  • **config – Backend-specific configuration options.

Return type:

RemoteBackend

Returns:

Configured RemoteBackend instance ready for use

Examples

>>> from qdk_chemistry.remote import create_remote
>>> from qdk_chemistry.algorithms import create
>>>
>>> remote = create_remote("local", timeout=7200, poll_interval=10.0)
>>> scf = create("scf_solver")
>>> energy, wfn = scf.run(structure, 0, 1, "cc-pvdz",
...                       cache="./cache", remote=remote)
qdk_chemistry.remote.backends.get_backend(name, **config)

Create a backend instance by name.

Parameters:

  • name (str) – Backend name (e.g., “custom” or “local”)

  • **config – Backend-specific configuration.

Return type:

RemoteBackend

Returns:

Configured RemoteBackend instance

Raises:

ValueError – If no backend is registered with that name

qdk_chemistry.remote.backends.get_mcp_safe_config_options(name)

Return MCP-safe constructor options for a registered backend.

Unknown backends and those without a direct declaration expose no configurable options to MCP clients.

Parameters:

name (str) – Registered backend name.

Return type:

frozenset[str]

Returns:

The explicitly declared MCP-safe constructor options. Returns an empty set when the backend is unknown or has no direct declaration.

qdk_chemistry.remote.backends.register_backend(name)

Decorator to register a backend class with a name.

Example

>>> @register_backend("custom")
... class CustomBackend(RemoteBackend):
...     ...
Parameters:

name (str) – The backend name (e.g., “custom” or “local”).

Return type:

Callable[[Type[RemoteBackend]], Type[RemoteBackend]]

Returns:

Decorator function that registers the backend class.

Raises:

DuplicateRegistrationError – If the remote backend name or class is already registered.

Submodules