Contributors: Hyesu Jang , Lee-Ping Wang
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Neighboring set: a set contains chemically similar torsions to the training sets;
Diverse set: a set covers more broad chemical diversity.
*Change has been made based on the feedback from David Mobley and Jessica Maat (Deactivated) .
Selection Scheme:
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1. Neighboring set selection scheme
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(Note that the diverse set shared here was generated using the first approach.)