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Quantitative Solute-Solvent Interaction on Abraham (test)

0.194MAEMolTC
0.175960.297730.41950.54127Feb 6, 2024

Evaluation results

MethodLinks
MolTCBaseline Model Category=Proposed Method2024.020.1940.388
GEMBaseline Model Category=GNN Based2024.020.2540.531
CGIBBaseline Model Category=GNN Based2024.020.2580.53
CIGINBaseline Model Category=GNN Based2024.020.3140.607
GOVERBaseline Model Category=ML Based2024.020.3470.625
Uni-MolBaseline Model Category=ML Based2024.020.3550.602
SMDBaseline Model Category=ML Based2024.020.40.646
D-MPNNBaseline Model Category=GNN Based2024.020.4840.705
SolvBertBaseline Model Category=ML Based2024.020.4960.693
MolT5Baseline Model Category=LLM Based2024.020.5490.832
MolCABaseline Model Category=LLM Based2024.020.5810.897
Chem T5Baseline Model Category=LLM Based2024.020.6290.91
GalacticaBaseline Model Category=LLM Based2024.020.6451.064