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Raise exception if presented with elements outside of the one-hot encoding of elements #12

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jchodera opened this issue Jan 16, 2023 · 1 comment

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jchodera commented Jan 16, 2023

We should raise a meaningful exception if presented with a molecule containing elements outside the domain of applicability.

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mikemhenry commented Apr 25, 2024

solved with #33

mikemhenry closed this as completed

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