Molecular Property Prediction on SIDER

38개 결과 · ⬇ CSV · JSON

ROC-AUC

Rank	Model	ROC-AUC	Paper	Code	Year
1	BioAct-Het	91.11	BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representatio	CBRC-lab/BioAct-Het	2023
2	Deep-CBN	78.2	Integrating convolutional layers and biformer network with forward-forward and backpropagation training	akianfar/Deep-CBN	2025
3	MolXPT	71.7	MolXPT: Wrapping Molecules with Text for Generative Pre-training	zequnl/molxpt	2023
4	IterRefLSTM	70.40	Low Data Drug Discovery with One-shot Learning		2016
5	ChemRL-GEM	67.2	ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction		2021
6	N-GramRF	66.8	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules	chao1224/n_gram_graph	2018
7	Uni-Mol	65.9	Uni-Mol: A Universal 3D Molecular Representation Learning Framework	dptech-corp/Uni-Mol	2022
8	N-GramXGB	65.5	N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules	chao1224/n_gram_graph	2018
9	GROVER (large)	65.4	Self-Supervised Graph Transformer on Large-Scale Molecular Data	deepchem/deepchem · tencent-ailab/grover · dengjianyuan/respite_mpp	2020
10	GROVER (base)	64.8	Self-Supervised Graph Transformer on Large-Scale Molecular Data	deepchem/deepchem · tencent-ailab/grover · dengjianyuan/respite_mpp	2020
11	SPMM	64.7	Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model	jinhojsk515/SPMM	2022
12	S-CGIB	64.03±1.04	Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck	NSLab-CUK/S-CGIB	2025
13	GAL 120B	63.2	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
14	PretrainGNN	62.7	Strategies for Pre-training Graph Neural Networks	snap-stanford/pretrain-gnns · snap-stanford/pretrain-gnns · gnn4dr/DRKG · +8	2019
15	GAL 30B	61.3	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
16	D-MPNN	57.0	Analyzing Learned Molecular Representations for Property Prediction	swansonk14/chemprop · jbr-ai-labs/lipophilicity-prediction · anonymous20201002/chemprop · +1	2019
17	GAL 125M	55.9	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
17	GAL 6.7B	55.9	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
19	GAL 1.3B	54.0	Galactica: A Large Language Model for Science	paperswithcode/galai	2022
20	BioAct-Het	91.11	BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representatio	CBRC-lab/BioAct-Het	2023