Exploration Configuration#

pydantic model dpeva.config.ExplorationConfig[源代码]#

Configuration for optional trajectory exploration backends.

field backend: Literal['atst-tools'] = 'atst-tools'#

Exploration backend name.

field backend_config_path: Path [Required]#

Path to the backend-native configuration file.

field input_structure_paths: List[Path] [Optional]#

Optional input structures to pass through the exploration request.

field metadata: Dict[str, Any] [Optional]#

Backend-specific metadata carried through the request.

field result_structure_paths: List[Path] [Optional]#

Optional result structures to collect after backend execution.

field work_dir: Path [Optional]#

Working directory.

field workflow_type: Literal['md', 'relax'] [Required]#

Exploration workflow type supported by the first ATST backend.