Comments (1)
Hi,
Thank you for your interest. You just need to output the normalized attention weight Am and Ap, and draw heatmaps based on the attention weights, respectively. The molecule part was depicted by RDKit with a similarity map function.
I hope this will help you.
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Related Issues (10)
- There is one bug in model.py
- Why the distance beween neighboring residues is 1.0? HOT 4
- The histogram comparison and DUDE dataset HOT 5
- Could you release the code of PDB data preprocessing ? HOT 4
- Calculating aa distances HOT 1
- Model always in training mode?
- weight size doesn't match with model
- IBM-BindingDB
- Split Human dataset
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