Molecular Interaction Prediction on Chromophore Absorption
16.25RMSEReAlignFit
Evaluation Results
| Method | Links | |
|---|---|---|
| ReAlignFitAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 16.25 | |
| ReAlignFitGCNAlignment Strategy=Representational Alignment by Attention-based Inductive Bias, Backbone=GCN2025.02 | 17.23 | |
| ReAlignFitGATAlignment Strategy=Representational Alignment by Attention-based Inductive Bias, Backbone=GAT2025.02 | 17.55 | |
| ISEAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 17.81 | |
| ReAlignFitGINAlignment Strategy=Representational Alignment by Attention-based Inductive Bias, Backbone=GIN2025.02 | 17.92 | |
| CMRLAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 17.93 | |
| CGIBAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 18.11 | |
| MMGNNAlignment Strategy=Representational Alignment by Attention-based Inductive Bias2025.02 | 18.65 | |
| CIGINAlignment Strategy=No Representational Alignment, Backbone=CIGIN2025.02 | 19.32 | |
| MPNNAlignment Strategy=No Representational Alignment, Backbone=MPNN2025.02 | 24.43 | |
| GINAlignment Strategy=No Representational Alignment, Backbone=GIN2025.02 | 24.92 | |
| GCNAlignment Strategy=No Representational Alignment, Backbone=GCN2025.02 | 25.75 | |
| GATAlignment Strategy=No Representational Alignment, Backbone=GAT2025.02 | 26.19 |