HyperAI超神经

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中文

HyperAI超神经

Formation Energy On Materials Project

评估指标

MAE

评测结果

各个模型在此基准测试上的表现结果

模型名称	MAE	Paper Title	Repository
Matformer	21.2	Periodic Graph Transformers for Crystal Material Property Prediction
SchNet	35	SchNet - a deep learning architecture for molecules and materials
PotNet	18.8	Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction
MEGNet	28	Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
SchNet	31.8	Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials
CGCNN	39	Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
CartNet	17.47	A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation
MT-CGCNN	41	MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction
SchNet-edge-update	22.7	Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials

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