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. Author manuscript; available in PMC: 2021 Aug 11.
Published in final edited form as: J Chem Theory Comput. 2020 Jul 6;16(8):5334–5347. doi: 10.1021/acs.jctc.0c00476

Figure 6:

Figure 6:

Actual iRMSD of the top-1 predictions versus predicted iRMSD or confidence scores in the benchmark test set. Each point representing the prediction for a target is colored according to the starting structure’s quality (iRMSD value).