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. 2024 Oct 16;15(46):19452–19465. doi: 10.1039/d4sc04620j

Fig. 6. (A). Visualization depicting the positions of generated and optimized geometries within the energy landscape. (B–D). Three case studies showcasing Relax E and OptRMSD metrics, each illustrating distinct scenarios encountered in FLAG, FragGen, and ResGen.

Fig. 6