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. 2020 Aug 31;60(10):4518–4535. doi: 10.1021/acs.jcim.0c00464

Table 5. Comparison of VAE-UNet Performance before and after Inclusion of the Deep-Feature-Consistent (DFC) Model and Ionic Radius (ri) in Electrondensity Mapsa.

system VAE MSE (Å) UNet nonzero recall (%) Mean EMD (Å) Mean Δnsites
VAE without DFC with σ = 1.0 0.012 55 0.150 1.0
DFC-VAE with σ = 1.0 0.013 55 0.112 0.25
DFC-VAE with σ = ri 0.013 87 0.090 0.198
a

The performance of our full Cond-DFC-VAE-UNet model is shown in bold formatting.