ML Research Wiki / Benchmarks / Formation Energy / Materials Project

Materials Project

Formation Energy Benchmark

Performance Over Time

📊 Showing 6 results | 📏 Metric: MAE

Top Performing Models

Rank Model Paper MAE Date Code
1 CartNet A Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation 17.47 2025-01-30 📦 imatge-upc/CartNet
2 PotNet Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction 18.80 2023-06-12 📦 divelab/AIRS
3 Matformer Periodic Graph Transformers for Crystal Material Property Prediction 21.20 2022-09-23 📦 divelab/AIRS 📦 YKQ98/Matformer
4 SchNet-edge-update Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials 22.70 2018-06-08 📦 nrel/m2p 📦 toshi-k/kaggle-champs-scalar-coupling 📦 peterbjorgensen/msgnet 📦 toshi-k/kaggle-trends-assessment-prediction 📦 tisabe/jraph_mpeu
5 SchNet Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials 31.80 2018-06-08 📦 nrel/m2p 📦 toshi-k/kaggle-champs-scalar-coupling 📦 peterbjorgensen/msgnet 📦 toshi-k/kaggle-trends-assessment-prediction 📦 tisabe/jraph_mpeu
6 MT-CGCNN MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction 41.00 2018-11-14 📦 soumyasanyal/mt-cgcnn

All Papers (6)

imatge-upc/CartNet
divelab/AIRS
divelab/AIRS YKQ98/Matformer
nrel/m2p toshi-k/kaggle-champs-scalar-coupling
nrel/m2p toshi-k/kaggle-champs-scalar-coupling
soumyasanyal/mt-cgcnn