Having a 0 in an Irreps string raises an e3nn error

choderalab / mtenn

Modular Training and Evaluation of Neural Networks

MIT License

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Having a 0 in an Irreps string raises an e3nn error #54

Closed kaminow closed 4 months ago

kaminow commented 4 months ago

The current E3NNModelConfig implementation allows an Irreps string that has an irrep of 0 quantity (eg "5x0e+0x1e"), which raises an error when passed to e3nn. Need to adjust the irreps parsing to prevent this.