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How to integrate E3FP fingerprints of multiple conformations of a molecule #87

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Leslie-yq opened this issue Nov 30, 2024 · 0 comments
Open

How to integrate E3FP fingerprints of multiple conformations of a molecule #87

Leslie-yq opened this issue Nov 30, 2024 · 0 comments

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@Leslie-yq
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Hello author.
If I want to integrate the E3FP fingerprints generated from multiple conformations of a molecule into a molecular representation that represents the conformational features of the molecule, what methods can I use to achieve this?
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