Atomistic Description on SIDER

Metric: ROC-AUC (higher is better)

LeaderboardDataset

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Results

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#	Model↕	ROC-AUC▼	Extra Data	Paper	Date↕	Code
1	BioAct-Het	91.11	No	-	-	Code
2	Deep-CBN	78.2	No	-	-	Code
3	MolXPT	71.7	No	MolXPT: Wrapping Molecules with Text for Generat...	2023-05-18	Code
4	IterRefLSTM	70.4	No	Low Data Drug Discovery with One-shot Learning	2016-11-10	-
5	ChemRL-GEM	67.2	No	ChemRL-GEM: Geometry Enhanced Molecular Represen...	2021-06-11	-
6	N-GramRF	66.8	No	N-Gram Graph: Simple Unsupervised Representation...	2018-06-24	Code
7	Uni-Mol	65.9	No	-	-	Code
8	N-GramXGB	65.5	No	N-Gram Graph: Simple Unsupervised Representation...	2018-06-24	Code
9	GROVER (large)	65.4	No	Self-Supervised Graph Transformer on Large-Scale...	2020-06-18	Code
10	GROVER (base)	64.8	No	Self-Supervised Graph Transformer on Large-Scale...	2020-06-18	Code
11	SPMM	64.7	No	Bidirectional Generation of Structure and Proper...	2022-11-19	Code
12	GAL 120B	63.2	No	Galactica: A Large Language Model for Science	2022-11-16	Code
13	PretrainGNN	62.7	No	Strategies for Pre-training Graph Neural Networks	2019-05-29	Code
14	GAL 30B	61.3	No	Galactica: A Large Language Model for Science	2022-11-16	Code
15	D-MPNN	57	No	Analyzing Learned Molecular Representations for ...	2019-04-02	Code
16	GAL 125M	55.9	No	Galactica: A Large Language Model for Science	2022-11-16	Code
17	GAL 6.7B	55.9	No	Galactica: A Large Language Model for Science	2022-11-16	Code
18	GAL 1.3B	54	No	Galactica: A Large Language Model for Science	2022-11-16	Code

#1BioAct-Het
91.11
ROC-AUC
No paperCode
#2Deep-CBN
78.2
ROC-AUC
No paperCode
#3MolXPTSOTA
71.7
ROC-AUC· 2023-05-18
MolXPT: Wrapping Molecules with Text for Generative Pre-training Code
#4IterRefLSTMSOTA
70.4
ROC-AUC· 2016-11-10
Low Data Drug Discovery with One-shot Learning
#5ChemRL-GEM
67.2
ROC-AUC· 2021-06-11
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
#6N-GramRF
66.8
ROC-AUC· 2018-06-24
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Code
#7Uni-Mol
65.9
ROC-AUC
No paperCode
#8N-GramXGB
65.5
ROC-AUC· 2018-06-24
N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules Code
#9GROVER (large)
65.4
ROC-AUC· 2020-06-18
Self-Supervised Graph Transformer on Large-Scale Molecular Data Code
#10GROVER (base)
64.8
ROC-AUC· 2020-06-18
Self-Supervised Graph Transformer on Large-Scale Molecular Data Code
#11SPMM
64.7
ROC-AUC· 2022-11-19
Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model Code
#12GAL 120B
63.2
ROC-AUC· 2022-11-16
Galactica: A Large Language Model for Science Code
#13PretrainGNN
62.7
ROC-AUC· 2019-05-29
Strategies for Pre-training Graph Neural Networks Code
#14GAL 30B
61.3
ROC-AUC· 2022-11-16
Galactica: A Large Language Model for Science Code
#15D-MPNN
57
ROC-AUC· 2019-04-02
Analyzing Learned Molecular Representations for Property Prediction Code
#16GAL 125M
55.9
ROC-AUC· 2022-11-16
Galactica: A Large Language Model for Science Code
#17GAL 6.7B
55.9
ROC-AUC· 2022-11-16
Galactica: A Large Language Model for Science Code
#18GAL 1.3B
54
ROC-AUC· 2022-11-16
Galactica: A Large Language Model for Science Code