| """Spec-RAG: Cross-modal retrieval and generation utilities.""" |
|
|
| from importlib import import_module |
|
|
| _EXPORTS = { |
| "SMILESEmbedder": ("embeddings", "SMILESEmbedder"), |
| "SpectrumEmbedder": ("embeddings", "SpectrumEmbedder"), |
| "MolT5WithEmbeddings": ("molt5_with_embeddings", "MolT5WithEmbeddings"), |
| "build_hnsw_index": ("faiss_index", "build_hnsw_index"), |
| "save_index": ("faiss_index", "save_index"), |
| "load_index": ("faiss_index", "load_index"), |
| "search_index": ("retrieval", "search_index"), |
| "format_molt5_prompt": ("prompt", "format_molt5_prompt"), |
| "format_chat_example": ("prompt", "format_chat_example"), |
| "SpecAgent": ("spec_agent", "SpecAgent"), |
| "validate_smiles": ("agent_tools", "validate_smiles"), |
| "calculate_mass_error": ("agent_tools", "calculate_mass_error"), |
| "PerceiverResampler": ("perceiver_resampler", "PerceiverResampler"), |
| "SpectraReasonEncoder": ("spectra_reason_encoder", "SpectraReasonEncoder"), |
| "build_spectra_reason_encoder": ("spectra_reason_encoder", "build_spectra_reason_encoder"), |
| "get_smiles_constraint": ("gcd_inference", "get_smiles_constraint"), |
| "predict_smiles_from_spectrum": ("gcd_inference", "predict_smiles_from_spectrum"), |
| } |
|
|
| __all__ = list(_EXPORTS) |
|
|
|
|
| def __getattr__(name): |
| if name not in _EXPORTS: |
| raise AttributeError(f"module {__name__!r} has no attribute {name!r}") |
| module_name, attr_name = _EXPORTS[name] |
| module = import_module(f".{module_name}", __name__) |
| value = getattr(module, attr_name) |
| globals()[name] = value |
| return value |
|
|
|
|
| def __dir__(): |
| return sorted(list(globals().keys()) + __all__) |
|
|
