• CoMPT is a Communicative Message Passing Transformer (CoMPT) network which improves molecular graph representation by enhancing message interaction process between nodes and edges. Specifically, we compared the axial attention module with attention modules along single direction or totally skip the axial attention unit, while keeping the other parameters unchanged. Table shows the performance of the full model and models using individual attention component, and the model without using axial attention. It seems that the proposed axial attention module with dual attention blocks is clearly beneficial to the model performance. The dual attention mechanism can improve the performance by 14.7% in terms of RMSE and 11% in terms of correlation coeffi-cient to the row-attention model, 10.7% and 7.2% to the column-attention model, and 20.3% and 16.78% for the model not using axial attention at all. However, for ligand based tasks, the atom pair tensor is symmetric and there is no need to make axial attention, only conventional attention units are used.