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RobDHess / Steerable-E3-GNN

E(3) Steerable Graph Neural Network
MIT License
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Question about the update of input position? #6

Open smiles724 opened 1 year ago

smiles724 commented 1 year ago

Hi, thanks for sharing the code, which is a remarkable step over EGNN.

However, after looking deep into your code, I am confused about how SEGNN update the parctiple positions? image As the forward function shows, you only update the node features after feeding the graph into the model.

Therefore, how do you perform the N-body task to predict the final location of the particles?

ioannisa92 commented 1 year ago

Same questions here!

RobDHess commented 10 months ago

Hi,

We predict a 1st order steerable feature ("1x1o") for each node and add it to the input position.

Kind regards,

Rob