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Message Passing Neural Networks for Simplicial and Cell Complexes
MIT License
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Working on QM9 dataset #98

Closed AdarshMJ closed 2 years ago

AdarshMJ commented 2 years ago

Hi! So I have modified relevant parts of the datasets/zinc.py to work on QM9 dataset.

The initial conversion to cell complexes is working however while training I get an assertion error - Screenshot 2022-04-01 at 11 30 38

Any idea how to resolve this?

Thanks in advance!

crisbodnar commented 2 years ago

Hi! The model you are using is made specifically for ZINC. There we assert that the edge features are one-dimensional vectors (i.e. the bond type). It seems that is not the case for the dataset you are using (i.e. QM9).