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microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Molecule-level features #128

Open Jaceyjc opened 2 years ago

Jaceyjc commented 2 years ago

Hello,

While nodes and edges' features are embedded in every individual graph structure, does Graphormer currently support additional molecule-level feature (i.e. a number for each molecule instead of tensors) in the ffn phase?

Thank you.

zhengsx commented 2 years ago

you can slightly modify the FFN sub-module to support your function.