Bulk Modulus predictor
Bulk Modulus Based on Machine Learning Graph Neural Networks
Cite this model:
Qi-Jun Hong, A melting temperature database and a neural network model for melting temperature prediction, arXiv, 2021. Download.
Qi-Jun Hong, Sergey V Ushakov, Axel van de Walle, and Alexandra Navrotsky, Melting temperature prediction using a graph neural network model: From ancient minerals to new materials, PNAS, 2022. Download.
This model is currently deployed on Microsoft Azure and the Research Computing facilities at ASU. Due to network limit, computation may take up to 10 seconds.
Metrics
R2 training score: 0.86
R2 testing score: 0.80
Root mean square error, training: 28GPa
Root mean square error, testing: 33GPa
About this model
