Neural Message Passing for Quantum Chemistry

Benchmark Model Rank Results
drug-discovery-on-qm9MPNNs#8Error ratio: 0.68
formation-energy-on-qm9MPNN#14MAE: 0.49
graph-regression-on-lipophilicityMPNN#13RMSE: 0.719
graph-regression-on-zinc-100kMPNN#5MAE: 0.288
graph-regression-on-zinc-500kMPNN (sum)#25MAE: 0.145
graph-regression-on-zinc-500kMPNN (max)#28MAE: 0.252
node-classification-on-citeseer-with-publicMPNN#38Accuracy: 64.0