Quantum Chemistry Regression
1 papers with code • 1 benchmarks • 0 datasets
Benchmarks
These leaderboards are used to track progress in Quantum Chemistry Regression
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Latest papers
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules
mjwen/bondnet
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Because of the use of this difference representation and the introduction of global features, including molecular charge, it is the first machine learning model capable of predicting both homolytic and heterolytic BDEs for molecules of any charge.
