Fig. 6From: A machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databasesNCIs calculated by DFT B3LYP, B3LYP-D3 and DFT-GRNN versus benchmark values. The insets are the deviation distribution relative to the benchmark values in each calculation (training set: red; test set: blue)Back to article page