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materialsvirtuallab / matgl

Graph deep learning library for materials
BSD 3-Clause "New" or "Revised" License
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How to deal with some labels missing? #279

Closed matthewkuner closed 1 week ago

matthewkuner commented 1 week ago

https://github.com/materialsvirtuallab/matgl/blob/5abfde6b90f73b80265b5364f229ff0d7fded9e8/src/matgl/graph/data.py#L117

Do I just set the labels that are missing to None? e.g. labels = {'energies': [-2, -3, None, -2.5]}

matthewkuner commented 1 week ago

apologies, it appears my answer is right here: https://github.com/materialsvirtuallab/matgl/blob/5abfde6b90f73b80265b5364f229ff0d7fded9e8/src/matgl/utils/training.py#L278