ML Research Wiki / Benchmarks / Molecular Property Prediction / SIDER

SIDER

Molecular Property Prediction Benchmark

Performance Over Time

📊 Showing 16 results | 📏 Metric: ROC-AUC

Top Performing Models

Rank Model Paper ROC-AUC Date Code
1 MolXPT MolXPT: Wrapping Molecules with Text for Generative Pre-training 71.70 2023-05-18 📦 zequnl/molxpt
2 IterRefLSTM Low Data Drug Discovery with One-shot Learning 70.40 2016-11-10 -
3 ChemRL-GEM ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction 67.20 2021-06-11 -
4 N-GramRF N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 66.80 2018-06-24 📦 chao1224/n_gram_graph
5 N-GramXGB N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 65.50 2018-06-24 📦 chao1224/n_gram_graph
6 GROVER (large) Self-Supervised Graph Transformer on Large-Scale Molecular Data 65.40 2020-06-18 📦 deepchem/deepchem 📦 tencent-ailab/grover 📦 dengjianyuan/respite_mpp
7 GROVER (base) Self-Supervised Graph Transformer on Large-Scale Molecular Data 64.80 2020-06-18 📦 deepchem/deepchem 📦 tencent-ailab/grover 📦 dengjianyuan/respite_mpp
8 SPMM Bidirectional Generation of Structure and Properties Through a Single Molecular Foundation Model 64.70 2022-11-19 📦 jinhojsk515/SPMM
9 GAL 120B Galactica: A Large Language Model for Science 63.20 2022-11-16 📦 paperswithcode/galai
10 PretrainGNN Strategies for Pre-training Graph Neural Networks 62.70 2019-05-29 📦 snap-stanford/pretrain-gnns 📦 snap-stanford/pretrain-gnns 📦 gnn4dr/DRKG

All Papers (16)

zequnl/molxpt
chao1224/n_gram_graph
chao1224/n_gram_graph
deepchem/deepchem tencent-ailab/grover dengjianyuan/respite_mpp
deepchem/deepchem tencent-ailab/grover dengjianyuan/respite_mpp
jinhojsk515/SPMM
paperswithcode/galai
snap-stanford/pretrain-gnns snap-stanford/pretrain-gnns
paperswithcode/galai
swansonk14/chemprop jbr-ai-labs/lipophilicity-prediction
paperswithcode/galai
paperswithcode/galai
paperswithcode/galai
NSLab-CUK/S-CGIB