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Studer Gabriel authored
The reason for that is that one might start with an initial seed somewhere in Nirvana that leads to no possible increase in QS-score. Stoping there might hinder a non-zero QS-score when continuing with other seeds. And even if the QS-score is 0.0 in the end, the mapping should make sense from an lDDT perspective more or less...
Studer Gabriel authoredThe reason for that is that one might start with an initial seed somewhere in Nirvana that leads to no possible increase in QS-score. Stoping there might hinder a non-zero QS-score when continuing with other seeds. And even if the QS-score is 0.0 in the end, the mapping should make sense from an lDDT perspective more or less...