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microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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A question about the file model.py #29

Closed linjc16 closed 2 years ago

linjc16 commented 2 years ago

model.py Line 114 in_degree, out_degree = batched_data.in_degree, batched_data.in_degree ?

zhengsx commented 2 years ago

Right now, the examples in Graphormer repo are mainly about molecular modeling, where we view each molecular graph as one undirectional graph. Hence the out_degree == in_degree == degree. If you want to try directional graph with different in/out degree encoding, just modify Line114 by yourself.

linjc16 commented 2 years ago

Got it. Thank u. :)

Right now, the examples in Graphormer repo are mainly about molecular modeling, where we view each molecular graph as one undirectional graph. Hence the out_degree == in_degree == degree. If you want to try directional graph with different in/out degree encoding, just modify Line114 by yourself.