ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction

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Benchmark Model Rank Results
molecular-property-prediction-on-baceChemRL-GEM–ROC-AUC: 85.6
molecular-property-prediction-on-bbbpChemRL-GEM–ROC-AUC: 72.4
molecular-property-prediction-on-clintoxChemRL-GEM–ROC-AUC: 90.1Molecules (M): 20
molecular-property-prediction-on-esolChemRL-GEM–RMSE: 0.798
molecular-property-prediction-on-freesolvChemRL-GEM–RMSE: 1.877
molecular-property-prediction-on-lipophilicityChemRL-GEM–RMSE: 0.66
molecular-property-prediction-on-qm7ChemRL-GEM–MAE: 58.9
molecular-property-prediction-on-qm8ChemRL-GEM–MAE: 0.0171
molecular-property-prediction-on-qm9ChemRL-GEM–MAE: 0.00746
molecular-property-prediction-on-siderChemRL-GEM–ROC-AUC: 67.2
molecular-property-prediction-on-tox21ChemRL-GEM–ROC-AUC: 78.1
molecular-property-prediction-on-toxcastChemRL-GEM–ROC-AUC: 69.2

Rank counts only results with a code link.