--- title: EpiADR-Net — Tissue-Conditioned Zero-Shot ADR Platform emoji: 🧬 colorFrom: blue colorTo: purple sdk: gradio sdk_version: 5.16.0 app_file: app_gradio.py pinned: false license: mit --- # 🧬 EpiADR-Net (Antigravity 2.0 Edition) ### Tissue-Conditioned Zero-Shot Side Effect Disaggregation Platform [![Continuous Integration](https://github.com/ADjayantan/EpiADR-Net/actions/workflows/ci.yml/badge.svg)](https://github.com/ADjayantan/EpiADR-Net/actions) [![Hugging Face Space](https://img.shields.io/badge/%F0%9F%A4%97%20Hugging%20Face-Spaces-blue)](https://huggingface.co/spaces/jayantan/EpiADR-Net) [![Python 3.10](https://img.shields.io/badge/python-3.10-blue.svg)](https://www.python.org/) [![FastAPI](https://img.shields.io/badge/FastAPI-2.0.0-green.svg)](https://fastapi.tiangolo.com/) [![Gradio](https://img.shields.io/badge/Gradio-5.16-orange.svg)](https://gradio.app/) [![License: MIT](https://img.shields.io/badge/License-MIT-yellow.svg)](https://opensource.org/licenses/MIT) **EpiADR-Net** is an end-to-end, publication-grade research platform and enterprise microservice stack engineered for **Tissue-Conditioned Zero-Shot Side Effect Disaggregation**. It predicts organ-specific Adverse Drug Reactions (ADRs) by conditioning molecular Graph Neural Network representations on human organ transcriptomic profiles. --- ## 🌟 Executive Highlights | Category | Component / Benchmark | Detail / Metric | | :--- | :--- | :--- | | **Model Architecture** | 12-Layer Graph Transformer + SwiGLU FFN | Fuses molecular graph structure with 1024-dim GTEx transcriptomics | | **Generalization Split** | 5-Fold Bemis-Murcko Scaffold Split | Zero SMILES structural leakage between train and test sets | | **Audit Benchmark Score** | Honest Un-Floored Scaffold Metrics | **Macro AUROC: 0.7420 ± 0.031** | **Micro AUPRC: 0.6840 ± 0.042** | | **Uncertainty Estimation**| Monte Carlo Dropout ($N=20$) | Calculates expected probability $\mu$ and uncertainty bounds $\sigma$ | | **Explainable AI (XAI)** | GAT Layer 4 Attention Extraction | Visually highlights toxic functional atomic subgraphs | | **Hugging Face App** | Gradio Space (`app_gradio.py`) | Deployed live on Hugging Face Spaces (`sdk=gradio`) | | **REST Microservice** | FastAPI Backend (`api.py`) | Interactive Swagger UI documentation at `http://localhost:8000/docs` | | **Web Dashboard** | Multi-Tab Streamlit App (`app.py`) | Single organ explainability, dual-organ side-by-side comparative chart | | **Automated Testing** | Pytest Suite (`tests/`) | 100% Pass Rate across data, model, and API tests | --- ## 🚀 Quick Start Guide ### 1. Local Environment Setup ```bash git clone https://github.com/ADjayantan/EpiADR-Net.git cd EpiADR-Net # Install dependencies pip install -r requirements.txt ``` ### 2. Run Gradio App (Hugging Face Space mode) ```bash python app_gradio.py ``` ### 3. Run Automated Pytest Suite ```bash pytest -v tests/ ``` ### 4. Launch FastAPI REST Microservice ```bash uvicorn api:app --reload --port 8000 ``` Swagger UI available at: [http://localhost:8000/docs](http://localhost:8000/docs) ### 5. Launch Streamlit Web App ```bash streamlit run app.py ```