CIN++: Enhancing Topological Message Passing

Benchmark Model Rank Results
graph-classification-on-hiv-datasetCIN++#1ROC-AUC: 80.63
graph-classification-on-hiv-datasetCIN++-small#2ROC-AUC: 80.26
graph-classification-on-mutagCIN++#5Accuracy: 94.4%
graph-classification-on-nci1CIN++#10Accuracy: 85.3%
graph-classification-on-nci109CIN++#4Accuracy: 84.5
graph-classification-on-peptides-funcCIN++-500k#28AP: 0.6569±0.0117
graph-classification-on-proteinsCIN++#8Accuracy: 80.5
graph-classification-on-ptcCIN++#6Accuracy: 73.2%
graph-regression-on-peptides-structCIN++-500k#24MAE: 0.2523
graph-regression-on-zincCIN++#12MAE: 0.074
graph-regression-on-zincCIN++-500k#14MAE: 0.077
graph-regression-on-zincCIN++-small#17MAE: 0.091