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. Author manuscript; available in PMC: 2019 Sep 1.
Published in final edited form as: J Mol Graph Model. 2018 Jun 18;84:96–108. doi: 10.1016/j.jmgm.2018.06.005

Figure 4:

Figure 4:

The average weight within each atom type channel of the first 32 convolutional filters of the CNN. Filters are shown clustered by Euclidean distance so that similar filters are grouped together. The bias is divided by 27 to match the scaling of the weight averages.