SOTAVerified|Agents Browse Leaderboard About Blog

Formation Energy

On the QM9 dataset the numbers reported in the table are the mean absolute error in eV on the target variable U0 divided by U0's chemical accuracy, which is equal to 0.043.

Papers

Recently Added Most Hyped Most Active Needs Verification Most Verified

Showing 21–30 of 54 papers

Title	Date	Tasks	Status	Hype	Score
InvDesFlow-AL: Active Learning-based Workflow for Inverse Design of Functional Materials	May 14, 2025	Active LearningFormation Energy	CodeCode Available	1	5
Efficient Approximations of Complete Interatomic Potentials for Crystal Property Prediction	Jun 12, 2023	Band GapFormation Energy	CodeCode Available	0	5
MatMMFuse: Multi-Modal Fusion model for Material Property Prediction	Apr 30, 2025	Band GapFormation Energy	CodeCode Available	0	5
MT-CGCNN: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction	Nov 14, 2018	Band GapBIG-bench Machine Learning	CodeCode Available	0	5
Neural Message Passing with Edge Updates for Predicting Properties of Molecules and Materials	Jun 8, 2018	Drug DiscoveryFormation Energy	CodeCode Available	0	5
Linear-scaling kernels for protein sequences and small molecules outperform deep learning while providing uncertainty quantitation and improved interpretability	Feb 7, 2023	Data VisualizationDrug Discovery	CodeCode Available	0	5
Establishing Deep InfoMax as an effective self-supervised learning methodology in materials informatics	Jun 30, 2024	Band GapFormation Energy	CodeCode Available	0	5
Crystal-LSBO: Automated Design of De Novo Crystals with Latent Space Bayesian Optimization	May 28, 2024	Bayesian OptimizationFormation Energy	CodeCode Available	0	5
Unleashing the power of novel conditional generative approaches for new materials discovery	Nov 5, 2024	Formation Energy	CodeCode Available	0	5
DScribe: Library of Descriptors for Machine Learning in Materials Science	Apr 18, 2019	BIG-bench Machine LearningFormation Energy	CodeCode Available	0	5

Show:10 25 50

← PrevPage 3 of 6Next →

All datasets QM9 Materials Project JARVIS-DFT 3BPA Acetylacetone Aspirin Ethanol GeTe LiPS LiPS20 Naphthalene OQMD v1.2

Benchmark Results

#	Model	Metric	Claimed	Verified	Status
1	HDAD+KRR	MAE	0.58	—	Unverified
2	MPNN	MAE	0.49	—	Unverified
3	SchNet	MAE	0.31	—	Unverified
4	ALIGNN	MAE	0.3	—	Unverified
5	MEGNet-simple	MAE	0.28	—	Unverified
6	HIP-NN	MAE	0.26	—	Unverified
7	SchNet-edge-update	MAE	0.24	—	Unverified
8	MEGNet-Full	MAE	0.21	—	Unverified
9	PhysNet	MAE	0.19	—	Unverified
10	DimeNet	MAE	0.19	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	MT-CGCNN	MAE	41	—	Unverified
2	CGCNN	MAE	39	—	Unverified
3	SchNet	MAE	35	—	Unverified
4	SchNet	MAE	31.8	—	Unverified
5	MEGNet	MAE	28	—	Unverified
6	SchNet-edge-update	MAE	22.7	—	Unverified
7	Matformer	MAE	21.2	—	Unverified
8	PotNet	MAE	18.8	—	Unverified
9	CartNet	MAE	17.47	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	CGCNN	MAE	0.06	—	Unverified
2	SchNet	MAE	0.05	—	Unverified
3	ALIGNN	MAE	0.03	—	Unverified
4	Matformer	MAE	0.03	—	Unverified
5	PotNet	MAE	0.03	—	Unverified
6	CartNet	MAE	0.03	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	BOTNet	MAE	5	—	Unverified
2	Allegro	MAE	4.13	—	Unverified
3	MACE	MAE	4	—	Unverified
4	NequIP	MAE	3.15	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	BOTNet	MAE	2	—	Unverified
2	MACE	MAE	2	—	Unverified
3	NequIP	MAE	1.38	—	Unverified
4	Allegro	MAE	0.92	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	Allegro	MAE	14.36	—	Unverified
2	MACE	MAE	13.79	—	Unverified
3	BOTNet	MAE	12.63	—	Unverified
4	NequIP	MAE	9.27	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	MACE	MAE	209.96	—	Unverified
2	BOTNet	MAE	203.83	—	Unverified
3	Allegro	MAE	6.94	—	Unverified
4	NequIP	MAE	4.99	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	BOTNet	MAE	3,034	—	Unverified
2	MACE	MAE	2,670	—	Unverified
3	NequIP	MAE	1,780.95	—	Unverified
4	Allegro	MAE	1,009.4	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	NequIP	MAE	165.43	—	Unverified
2	Allegro	MAE	31.75	—	Unverified
3	MACE	MAE	30	—	Unverified
4	BOTNet	MAE	28	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	Allegro	MAE	33.17	—	Unverified
2	NequIP	MAE	26.8	—	Unverified
3	BOTNet	MAE	24.59	—	Unverified
4	MACE	MAE	14.05	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	BOTNet	MAE	182.55	—	Unverified
2	MACE	MAE	161.74	—	Unverified
3	Allegro	MAE	5.82	—	Unverified
4	NequIP	MAE	2.66	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	CGNN-128	MAE	35.7	—	Unverified
2	CGNN-160	MAE	35.1	—	Unverified
3	CGNN-192	MAE	34.6	—	Unverified
4	CGNN Ensemble	MAE	30.5	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	MACE	MAE	165.29	—	Unverified
2	BOTNet	MAE	153.06	—	Unverified
3	Allegro	MAE	8.59	—	Unverified
4	NequIP	MAE	6.29	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	SchNet	MAE	0.31	—	Unverified
2	CGNN Trio Ensemble	MAE	0.04	—	Unverified
3	CGNN Full Ensemble	MAE	0.03	—	Unverified