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Add explainability to structural ML #46

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fyng opened this issue Feb 12, 2024 · 0 comments

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fyng commented Feb 12, 2024

Pytorch Geometric is developing a framework for supporting explanation of structural ML. There's an API in beta.

I think it will be interesting to add support of this for science and for compound design efforts. Is anyone else interested?

fyng added the future label

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