Popular repositories Loading

1. evaproject evaproject Public

   Python

2. polymer_tg_ml polymer_tg_ml Public

   Interpretable polymer Tg prediction with XGBoost, SHAP, structure-aware validation and applicability domain analysis

   Python

3. battery-materials-discovery battery-materials-discovery Public

   End-to-end Li-ion cathode screening with leakage-aware ML, physics-based analysis, Pareto optimization, uncertainty filtering, and DFT validation.

   Python