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SotA/Miscellaneous/Formation Energy/QM9

Formation Energy on QM9

Metric: MAE (lower is better)

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#Model↕MAE▲Extra DataPaperDate↕Code
1TensorNet0.09NoTensorNet: Cartesian Tensor Representations for ...2023-06-10Code
2PAMNet0.136NoA Universal Framework for Accurate and Efficient...2023-11-19Code
3MXMNet0.137NoMolecular Mechanics-Driven Graph Neural Network ...2020-11-15Code
4HMGNN0.138NoHeterogeneous Molecular Graph Neural Networks fo...2020-09-26Code
5PhysNet-ens50.14No--Code
6DeepMoleNet0.141No---
7xGPR -- Gaussian process, graph convolution kernel0.167NoLinear-scaling kernels for protein sequences and...2023-02-07Code
8DimeNet0.185NoDirectional Message Passing for Molecular Graphs2020-03-06Code
9PhysNet0.19No--Code
10MEGNet-Full0.21No--Code
11SchNet-edge-update0.242NoNeural Message Passing with Edge Updates for Pre...2018-06-08Code
12HIP-NN0.256NoHierarchical modeling of molecular energies usin...2017-09-29-
13MEGNet-simple0.28No--Code
14ALIGNN0.3No--Code
15SchNet0.314NoNeural Message Passing with Edge Updates for Pre...2018-06-08Code
16MPNN0.49NoNeural Message Passing for Quantum Chemistry2017-04-04Code
17HDAD+KRR0.58No---