CrystaLogiX
Full-stack materials informatics platform for real-time electronic bandgap prediction using a two-stage XGBoost hurdle framework with conformal uncertainty quantification.
- Research manuscript under peer review at npj Computational Materials proposing a hybrid XGBoost-ensemble architecture for bandgap prediction in inorganic crystals.
- GPU-accelerated pipeline (RAPIDS cuDF) over ~200k Materials Project entries with a two-stage classifier–regressor achieving global MAE of 0.2336 eV and R² of 0.8945.
- Production deployment with Next.js (Netlify), FastAPI + ONNX inference (Render), MongoDB Atlas, and Upstash Redis rate limiting.
