Formation Energy On Jarvis Dft Formation

MAE

評価結果

このベンチマークにおける各モデルのパフォーマンス結果

モデル名	MAE	Paper Title	Repository
CGCNN	0.063	-	-
CartNet	0.02705	A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation
SchNet	0.045	SchNet: A continuous-filter convolutional neural network for modeling quantum interactions
ALIGNN	0.0331	Atomistic Line Graph Neural Network for Improved Materials Property Predictions
Matformer	0.0325	Periodic Graph Transformers for Crystal Material Property Prediction
PotNet	0.0294	Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction

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