"""TxGNN fine-tune for drug repurposing (Phase 2). Following Huang et al. *Nature Medicine* 2024. Zero-shot disease–drug link prediction using a heterogeneous GNN over PrimeKG + our enriched KG. Approach: 1. Initialize node features with our raras-app `fused_embeddings.npz`. 2. Train HGT-style message passing on PrimeKG drug-disease subgraph. 3. Add Brazilian SUS auxiliary head — bias predictions toward drugs in PCDT/CEAF when the patient is in the SUS context. 4. Save inference module exposing `predict(space, embedding, ckpt) -> DrugSpec`. """ from __future__ import annotations import os import logging from typing import Optional logger = logging.getLogger("gemeo.train.txgnn") CKPT = os.path.join(os.path.dirname(__file__), "..", "artifacts", "txgnn.pt") async def predict(space, embedding, ckpt_path: str): """Inference path used by `gemeo.repurpose.find`.""" if not os.path.exists(ckpt_path): return None try: import torch # noqa: F401 except ImportError: return None # Load checkpoint, run forward, return DrugSpec. # Stub: defer to bootstrap. Real impl in PR-2. return None def train(epochs: int = 80): """Run as `python -m gemeo.train.txgnn`.""" logger.info("TxGNN scaffold — fill PrimeKG drug-disease loader + link-pred head") # TODO: load PrimeKG, freeze HGT base, fine-tune drug-disease head # TODO: SUS auxiliary loss using brazilian_context.PCDT mappings # TODO: save model with .predict(...) method if __name__ == "__main__": logging.basicConfig(level=logging.INFO) train()