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awslabs / dgl-lifesci

Python package for graph neural networks in chemistry and biology
Apache License 2.0
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rexgen_direct notebook error #108

Closed eacwecwecd closed 4 years ago

eacwecwecd commented 4 years ago

when I run https://data.dgl.ai/dgllife/reaction_prediction_pretrained.ipynb, I got this error: IndexError: tensors used as indices must be long, byte or bool tensors

the error from this line,

with torch.nograd(): , biased_pred = reaction_center_prediction(str(device), center_model, batch_mol_graphs, batch_complete_graphs)

mufeili commented 4 years ago

What's your PyTorch version?

eacwecwecd commented 4 years ago

What's your PyTorch version? 1.6

mufeili commented 4 years ago

What are the versions for DGL and DGL-LifeSci?

eacwecwecd commented 4 years ago

What are the versions for DGL and DGL-LifeSci?

DGL is 0.5.2, DGL-LifeSci is 0.2.5

mufeili commented 4 years ago

Can you update to DGL-LifeSci 0.2.6? I just tried myself and the issue happens with 0.2.5, but not with 0.2.6.

eacwecwecd commented 4 years ago

Can you update to DGL-LifeSci 0.2.6? I just tried myself and the issue happens with 0.2.5, but not with 0.2.6. So many thanks for your quick help！