Model Card for NutriGNN — Drug–Food Pharmacological Mapping LLM

NutriGNN is a multimodal, safety-aware biomedical reasoning model fine-tuned on the Meta-Llama-3-8B base using Parameter-Efficient Fine-Tuning (PEFT) with LoRA adapters.
It functions as an explainable AI assistant for drug–food interaction analysis, personalized nutritional recommendation, and biomedical report generation, grounded in a heterogeneous knowledge graph and graph neural embeddings.


Model Details

Model Description

NutriGNN integrates Graph Neural Networks (GNNs) with a Large Language Model reasoning layer to align pharmaceutical drug effects with nutraceutical and food-derived compounds.
The system performs cross-domain embedding alignment, safety constraint filtering (allergies, diseases, contraindications), and natural-language explanation/recipe generation.

  • Developed by: S Kunal Achintya Reddy
  • Model Type: Biomedical reasoning and recommendation LLM
  • Languages: English
  • License: MIT
  • Fine-tuned from model: meta-llama/Meta-Llama-3-8B
  • Frameworks: PyTorch, PEFT, Hugging Face Transformers, PyTorch Geometric
  • Version: 1.0 (2026)

NutriGNN is designed as a decision-support system, not a clinical diagnostic tool.


Uses

Direct Use

NutriGNN can be used directly for:

  • Drug → food compound mapping and analog discovery
  • Personalized dietary recommendations with safety filters
  • Contraindication and side-effect explanation generation
  • Biomedical recipe generation and structured reports
  • Conversational health copilots and educational assistants

Downstream Use

  • Domain adaptation for clinical nutrition or pharmacy analytics
  • Integration into healthcare dashboards or wellness platforms
  • Embedding as an explainability layer in biomedical RAG systems

Out-of-Scope Use

  • Automated medical diagnosis or treatment decisions
  • Emergency or critical care decision-making
  • Processing personal health data without consent
  • Replacing licensed healthcare professionals

Bias, Risks, and Limitations

  • Outputs depend on the quality and coverage of biomedical datasets used during training.
  • The model may underperform in rare drug–food interactions or niche medical domains.
  • Not a certified medical advisor; recommendations require professional validation.
  • Language and regional dietary diversity may affect accuracy.

Recommendations

Users and developers should:

  • Treat NutriGNN as decision support, not authoritative medical advice.
  • Enable safety filters (allergy and contraindication modules) during deployment.
  • Periodically retrain or fine-tune with updated biomedical datasets.
  • Combine with human oversight in clinical or regulated environments.

Training Details

Training Data

NutriGNN was trained on a curated biomedical corpus composed of:

  • Public pharmacological datasets (drug–target relations)
  • Nutraceutical and food compound datasets
  • Biomedical literature summaries and ontology mappings
  • Synthetic reasoning dialogues and recipe generation prompts
  • Structured knowledge graph triples for cross-domain alignment

All data used was publicly available, synthetic, or anonymized.


Training Procedure

Preprocessing

  • Data normalized into structured triplets: context → biochemical reasoning → safe recommendation
  • Ontology mapping and duplicate removal
  • Contraindication and allergy tags injected as control tokens
  • Recipe and explanation prompts standardized into instruction format

Training Hyperparameters

  • Base model: Meta-Llama-3-8B
  • Fine-tuning: LoRA (r=32, alpha=16, dropout=0.05)
  • Batch size: 32–64
  • Learning rate: 2e-4
  • Optimizer: AdamW
  • Precision: bf16 mixed precision
  • Epochs: 4–6
  • Context length: 4096 tokens
  • Training hardware: NVIDIA A100 GPU (80GB)

Speeds, Sizes, Times

  • Trainable parameters: ~110M
  • Adapter checkpoint size: ~2–3 GB
  • Average training throughput: ~380 tokens/sec
  • Total training time: ~11.8 GPU hours
  • Estimated training cost: $21.63 USD
    (Equivalent to ~11–12 hours on a single A100 GPU instance at ~$1.8–2.0/hr spot pricing)

Evaluation Metrics

Metric Purpose
Precision@K Food analog retrieval quality
AUROC / AUPRC Side-effect and target prediction
Cosine Similarity Threshold Pharmacological alignment validity
Acceptance Rate Recipe biological coherence
Zero-Shot Accuracy Generalization to unseen drugs
Human Evaluation Interpretability and clarity

System Architecture

![System Architecture](System Architecture.png)

Ethical and Safety Considerations

NutriGNN includes safety-aware reasoning modules, but:

  • It does not replace medical professionals.
  • It should not be used for regulated clinical decisions without validation.
  • Developers should implement consent, logging, and explainability layers.

Intended Deployment Contexts

  • Research prototypes and academic studies
  • Educational healthcare tools
  • Nutritional planning assistants
  • Biomedical RAG or graph-augmented reasoning systems

Not recommended for emergency or high-risk medical scenarios.


Citation

If you use this model in academic work:

@misc{nutrignn2026, title={NutriGNN: Graph–Language Modeling for Drug–Food Bioactivity Alignment}, author={S. Kunal Achintya Reddy}, year={2026}, note={Hugging Face Model Repository} }


License

MIT License — free for research and commercial use with attribution.


Final Note

NutriGNN bridges computational pharmacology and nutritional intelligence by combining graph-based reasoning with generative language models, enabling safer and more interpretable biomedical decision-support systems.

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