ML Research Wiki / Benchmarks / Formation Energy / JARVIS-DFT

JARVIS-DFT

Formation Energy Benchmark

Performance Over Time

📊 Showing 4 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 0.03 2025-01-30 📦 imatge-upc/CartNet
2 PotNet Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction 0.03 2023-06-12 📦 divelab/AIRS
3 Matformer Periodic Graph Transformers for Crystal Material Property Prediction 0.03 2022-09-23 📦 divelab/AIRS 📦 YKQ98/Matformer
4 SchNet SchNet: A continuous-filter convolutional neural network for modeling quantum interactions 0.05 2017-06-26 📦 atomistic-machine-learning/schnetpack 📦 atomistic-machine-learning/SchNet 📦 xiuyu0000/new_papers_codes 📦 jmg764/Predicting-Molecular-Scalar-Couplings-using-SchNet 📦 jmg764/Molecular-Scalar-Coupling-Constant-Prediction-using-SchNet

All Papers (4)

imatge-upc/CartNet
divelab/AIRS
divelab/AIRS YKQ98/Matformer
atomistic-machine-learning/schnetpack atomistic-machine-learning/SchNet