Quantum Chemistry Regression
1 papers with code • 1 benchmarks • 0 datasets
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Benchmarks
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Latest papers with no code
Approximate Equivariance SO(3) Needlet Convolution
This paper develops a rotation-invariant needlet convolution for rotation group SO(3) to distill multiscale information of spherical signals.
Utilizing Edge Features in Graph Neural Networks via Variational Information Maximization
The IGNN model is based on an elegant and fundamental idea in information theory as explained in the main text, and it could be easily generalized beyond the contexts of molecular graphs considered in this work.
