MAterials Properties Prediction (MAPP)


built on experimental data
empowered by artificial intelligence
enhanced by ab initio calculations

Properties Dataset Size R2 Score (training/testing) RMSE (training/testing) Status
Melting Temperature 9,198 0.995/0.98 50/100 K Deployed
Bulk Modulus 4,236 0.997/0.97 4/14 GPa Deployed
Volume 49,213 0.985/0.975 0.942/1.177 Ang^3/atom Deployed
Superconductor Critical Temperature 12,448 0.92/0.90 8.5/9.0 K Deployed
Crystal Structure 7,882 AUC: 0.998/0.961 F1 Score: 0.86/0.66 Deployed
Heat Capacity 2,074 0.72/0.63 0.66/0.79 J mol-1K-1 In Progress
Heat of Fusion 1,233 0.94/0.89 0.4/0.6 kJ mol-1 In Progress
Thermal Expansion       Planned
Calphad model excess parameter LA,B;0 790  0.96/0.85  18/35 kJ mol-1 Deployment in Progress

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