OCELOT ML
An online tool to predict properties with machine learning models
From 2D structures
Message Passing Neural Networks (MPNN) for molecular property prediction from 2D structure.
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Electronic Coupling
MPNN for electronic coupling prediction from CIF file. Also calculate hole mobility with Marcus theory.
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Leaderboard
View performance of variety of models on the OCELOT dataset. Links to download models available.
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Contribute
You can contribute your ML model for deployment. Contact us at ocelot@l.uky.edu
