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ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules
Smith, Justin S., Isayev, Olexandr, Roitberg, Adrian E.Volume:
4
Language:
english
Journal:
Scientific Data
DOI:
10.1038/sdata.2017.193
Date:
December, 2017
File:
PDF, 1.38 MB
english, 2017