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What does the edge feature stand for? #56

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Seojin-Kim opened this issue Jul 28, 2022 · 1 comment
Open

What does the edge feature stand for? #56

Seojin-Kim opened this issue Jul 28, 2022 · 1 comment

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@Seojin-Kim
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Hello.

I'm doing an SMP experiment, and I found that the edge feature dimension is 4.

However, I couldn't figure out what each element stands for.

Could you give me some instruction about the features of edges of molecule?

Thank you.

@martinvoegele
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The data set itself does not come with explicit edge features, so it depends on the algorithm you are using.
Some of them use one-hot encoding with dimension 4 for the type of the chemical bond (single, double, triple, aromatic).

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