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Enzyme Specificity Prediction using Cross Attention Graph Neural Networks

Authors: Su, Yufeng;

Enzyme Specificity Prediction using Cross Attention Graph Neural Networks

Abstract

A cross-attention-empowered SE(3)-equivariant graph neural network architecture for predicting enzyme substrate specificity. We are actively working on building the dedicated user interface (UI) for EZSpecificity. You can access the early version of our model (the frontend staging environment) via the following link: https://ezspecificity.frontend.staging.mmli1.ncsa.illinois.edu/home . Please note that while the full UI is being developed, this Jupyter Notebook will continue to serve as the temporary environment for performing EZSpecificity inference. If you have any questions, please do not hesitate to contact us. Thank you!

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    This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
    1
    popularity
    This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
    Average
    influence
    This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
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    impulse
    This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
Average
Average
Average