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microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Command-line Tools Dataset Documentation #159

Open rdh1115 opened 1 year ago

rdh1115 commented 1 year ago

Hi,

Can you clarify what multi_hop edge type means? The documentation is also unclear on what --num-edge-dis is, which is used to initialize this embedding during edge encoding attention bias calculation.

if self.edge_type == "multi_hop":
            self.edge_dis_encoder = nn.Embedding(
                num_edge_dis * num_heads * num_heads, 1
            )

Thank you!

JeremySun1224 commented 1 year ago

同问，求解答 @zhengsx