TrimNet: learning molecular representation from triplet messages for biomedicine

Benchmark Model Rank Results
drug-discovery-on-baceTrimNet#1AUC: 0.878
drug-discovery-on-clintoxTrimNet#2AUC: 0.948
drug-discovery-on-hiv-datasetTrimNet#3AUC: 0.804
drug-discovery-on-muvTrimNet#1AUC: 0.851
drug-discovery-on-tox21TrimNet#3AUC: 0.860
drug-discovery-on-toxcastTrimNet#1AUC: 0.777