Molecular Property Prediction on FreeSolv

Metric: RMSE (lower is better)

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#	Model↕	RMSE▲	Augmentations	Paper	Date↕	Code
1	SMA	1.09	No	Self-Guided Masked Autoencoders for Domain-Agnos...	2024-02-22	Code
2	ChemBFN	1.418	No	A Bayesian Flow Network Framework for Chemistry ...	2024-07-28	Code
3	Uni-Mol	1.62	No	-	-	Code
4	SPMM	1.859	No	Bidirectional Generation of Structure and Proper...	2022-11-19	Code
5	ChemRL-GEM	1.877	No	ChemRL-GEM: Geometry Enhanced Molecular Represen...	2021-06-11	-
6	D-MPNN	2.082	No	Analyzing Learned Molecular Representations for ...	2019-04-02	Code
7	GROVER (base)	2.176	No	Self-Supervised Graph Transformer on Large-Scale...	2020-06-18	Code
8	GROVER (large)	2.272	No	Self-Supervised Graph Transformer on Large-Scale...	2020-06-18	Code
9	N-GramRF	2.688	No	N-Gram Graph: Simple Unsupervised Representation...	2018-06-24	Code
10	PretrainGNN	2.764	No	Strategies for Pre-training Graph Neural Networks	2019-05-29	Code
11	N-GramXGB	5.061	No	N-Gram Graph: Simple Unsupervised Representation...	2018-06-24	Code

#1SMASOTA
1.09
RMSE· 2024-02-22
Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning Code
#2ChemBFN
1.418
RMSE· 2024-07-28
A Bayesian Flow Network Framework for Chemistry Tasks Code
#3Uni-Mol
1.62
RMSE
No paperCode
#4SPMMSOTA
1.859
RMSE· 2022-11-19
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model Code
#5ChemRL-GEMSOTA
1.877
RMSE· 2021-06-11
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
#6D-MPNNSOTA
2.082
RMSE· 2019-04-02
Analyzing Learned Molecular Representations for Property Prediction Code
#7GROVER (base)
2.176
RMSE· 2020-06-18
Self-Supervised Graph Transformer on Large-Scale Molecular Data Code
#8GROVER (large)
2.272
RMSE· 2020-06-18
Self-Supervised Graph Transformer on Large-Scale Molecular Data Code
#9N-GramRFSOTA
2.688
RMSE· 2018-06-24
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Code
#10PretrainGNN
2.764
RMSE· 2019-05-29
Strategies for Pre-training Graph Neural Networks Code
#11N-GramXGBSOTA
5.061
RMSE· 2018-06-24
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Code