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. Author manuscript; available in PMC: 2021 Dec 28.
Published in final edited form as: J Chem Inf Model. 2020 Sep 30;60(12):5667–5681. doi: 10.1021/acs.jcim.0c00593

Figure 5.

Figure 5.

Assessing gcWGAN designs targeting a completely novel fold when the oracle gives feedback on the closest basis fold a.188. (a) TM-score distribution. (b) Best gcWGAN design (not filtered) (blue) and the ground truth (gray) (TM-score = 0.45). (c) Best gcWGAN design (oracle-filtered) (TM-score = 0.46). (d) Sequence diversity (more with lower identity). (e) Sequence novelty (more with lower identity).