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coleygroup / Graph2SMILES

MIT License
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reaction prediction #2

Closed WYejian closed 2 years ago

WYejian commented 2 years ago

The model throws the error "RuntimeError: CUDA error: device-side assertion fired" (graph2seq_series_rel.py ,line 125, in forward, memory_lengths=memory_lengths) when I run reaction prediction, not when I run retrosynthesis.

DeepAIDD commented 2 years ago

I also have this problem. Have you solved it

zhengkaitu commented 2 years ago

@WYejian @zpking Can you try to see whether the problem can be resolved by setting REL_BUCKETS to 11 in train_g2s.sh? CUDA device-side assertion typically points to the case when the lookup index is greater than what the embedding table contains.

DeepAIDD commented 2 years ago

@zhengkaitu Thank you very much. The problem has been solved