Tag: G4MP2

In our recent study, we propose using machine learning (ML) to correct differences in properties calculated at two quantum chemical (QC) methods with different accuracy. In the Δ-ML approach ML model is trained on differences between some property calculated at …

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If you need really huge data set to test your methods, then our data set with 133,885 species is one of the best choices. You can download it in figshare.

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