ML Research Wiki / Benchmarks / Molecular Property Prediction / QM7

QM7

Molecular Property Prediction Benchmark

Performance Over Time

📊 Showing 7 results | 📏 Metric: MAE

Top Performing Models

Rank Model Paper MAE Date Code
1 ChemRL-GEM ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction 58.90 2021-06-11 -
2 N-GramXGB N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 81.90 2018-06-24 📦 chao1224/n_gram_graph
3 GROVER (large) Self-Supervised Graph Transformer on Large-Scale Molecular Data 92.00 2020-06-18 📦 deepchem/deepchem 📦 tencent-ailab/grover 📦 dengjianyuan/respite_mpp
4 N-GramRF N-Gram Graph: Simple Unsupervised Representation for Graphs, with Applications to Molecules 92.80 2018-06-24 📦 chao1224/n_gram_graph
5 GROVER (base) Self-Supervised Graph Transformer on Large-Scale Molecular Data 94.50 2020-06-18 📦 deepchem/deepchem 📦 tencent-ailab/grover 📦 dengjianyuan/respite_mpp
6 D-MPNN Analyzing Learned Molecular Representations for Property Prediction 103.50 2019-04-02 📦 swansonk14/chemprop 📦 jbr-ai-labs/lipophilicity-prediction 📦 anonymous20201002/chemprop 📦 tingweidaniel/chemprop_atomicfp_save_depth_final
7 PretrainGNN Strategies for Pre-training Graph Neural Networks 113.20 2019-05-29 📦 snap-stanford/pretrain-gnns 📦 snap-stanford/pretrain-gnns 📦 gnn4dr/DRKG

All Papers (7)

chao1224/n_gram_graph
deepchem/deepchem tencent-ailab/grover dengjianyuan/respite_mpp
chao1224/n_gram_graph
deepchem/deepchem tencent-ailab/grover dengjianyuan/respite_mpp
swansonk14/chemprop jbr-ai-labs/lipophilicity-prediction
snap-stanford/pretrain-gnns snap-stanford/pretrain-gnns