This is really an amazing body of work, thank you.
Would you have any suggestions as to how to adapt dMaSIF for tasks where we want to predict a feature vector of a fixed size (unlike the embedding created which varies with the size of the input molecule from my understanding).
I was trying to add an application specific head to the network but I see the embedding produced is always dependent on the molecule size so I am having difficulty feeding this into a fixed sized fence network of linear layers.
I would really appreciate any ideas. Maybe it would be very simple and I am missing something conceptually. I hope the question is clear.
Dear Authors,
This is really an amazing body of work, thank you.
Would you have any suggestions as to how to adapt dMaSIF for tasks where we want to predict a feature vector of a fixed size (unlike the embedding created which varies with the size of the input molecule from my understanding).
I was trying to add an application specific head to the network but I see the embedding produced is always dependent on the molecule size so I am having difficulty feeding this into a fixed sized fence network of linear layers.
I would really appreciate any ideas. Maybe it would be very simple and I am missing something conceptually. I hope the question is clear.
All the best, Oz