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snap-stanford / ogb

Benchmark datasets, data loaders, and evaluators for graph machine learning
https://ogb.stanford.edu
MIT License
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Add padding option to AtomEncoder and BondEncoder #238

Closed HannesStark closed 3 years ago

HannesStark commented 3 years ago

Add padding option to AtomEncoder and BondEncoder in mol_encoder.py to support, e.g., virtual edges with zero-padding as features

weihua916 commented 3 years ago

Hi! Thanks for your request --- this feature might be too specific to virtual nodes. I'd keep the encoders as they are, and you are free to implement your own advanced encoders yourself by inheriting what we provide in OGB.