Solute-Solvent Interaction on MNSol
0.538RMSECGIB
Evaluation results
| Method | Links | ||
|---|---|---|---|
| CGIBAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 0.538 | — | |
| ReAlignFitGCNAlignment Strategy=Representational Alignment by Attention-based Inductive Bias, Backbone=GCN2025.02 | 0.539 | — | |
| ReAlignFitAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 0.54 | — | |
| ReAlignFitGATAlignment Strategy=Representational Alignment by Attention-based Inductive Bias, Backbone=GAT2025.02 | 0.543 | — | |
| MMGNNAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 0.546 | — | |
| CMRLAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 0.551 | — | |
| ReAlignFitGINAlignment Strategy=Representational Alignment by Attention-based Inductive Bias, Backbone=GIN2025.02 | 0.552 | — | |
| MolTC2024.02 | 0.585 | 0.324 | |
| CIGINAlignment Strategy=No Representational Alignment, Backbone=CIGIN2025.02 | 0.607 | — | |
| ISEAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 0.607 | — | |
| GINAlignment Strategy=No Representational Alignment, Backbone=GIN2025.02 | 0.669 | — | |
| GCNAlignment Strategy=No Representational Alignment, Backbone=GCN2025.02 | 0.675 | — | |
| MPNNAlignment Strategy=No Representational Alignment, Backbone=MPNN2025.02 | 0.682 | — | |
| GATAlignment Strategy=No Representational Alignment, Backbone=GAT2025.02 | 0.731 | — | |
| MolT52024.02 | 0.858 | 0.449 | |
| MolCA2024.02 | 0.93 | 0.491 | |
| Chem T52024.02 | 0.973 | 0.504 | |
| Galactica2024.02 | 1.002 | 0.584 |