Molecular Property Prediction on QM7

Metric: MAE (lower is better)

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#	Model↕	MAE▲	Augmentations	Paper	Date↕	Code
1	Uni-Mol	41.8	No	-	-	Code
2	ChemRL-GEM	58.9	No	ChemRL-GEM: Geometry Enhanced Molecular Represen...	2021-06-11	-
3	N-GramXGB	81.9	No	N-Gram Graph: Simple Unsupervised Representation...	2018-06-24	Code
4	GROVER (large)	92	No	Self-Supervised Graph Transformer on Large-Scale...	2020-06-18	Code
5	N-GramRF	92.8	No	N-Gram Graph: Simple Unsupervised Representation...	2018-06-24	Code
6	GROVER (base)	94.5	No	Self-Supervised Graph Transformer on Large-Scale...	2020-06-18	Code
7	D-MPNN	103.5	No	Analyzing Learned Molecular Representations for ...	2019-04-02	Code
8	PretrainGNN	113.2	No	Strategies for Pre-training Graph Neural Networks	2019-05-29	Code

#1Uni-Mol
41.8
MAE
No paperCode
#2ChemRL-GEMSOTA
58.9
MAE· 2021-06-11
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
#3N-GramXGBSOTA
81.9
MAE· 2018-06-24
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Code
#4GROVER (large)
92
MAE· 2020-06-18
Self-Supervised Graph Transformer on Large-Scale Molecular Data Code
#5N-GramRFSOTA
92.8
MAE· 2018-06-24
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Code
#6GROVER (base)
94.5
MAE· 2020-06-18
Self-Supervised Graph Transformer on Large-Scale Molecular Data Code
#7D-MPNN
103.5
MAE· 2019-04-02
Analyzing Learned Molecular Representations for Property Prediction Code
#8PretrainGNN
113.2
MAE· 2019-05-29
Strategies for Pre-training Graph Neural Networks Code