ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules
Crossref DOI link: https://doi.org/10.1038/sdata.2017.193
Published Online: 2017-12-19
Update policy: https://doi.org/10.1007/springer_crossmark_policy
Smith, Justin S. http://orcid.org/0000-0001-7314-7896
Isayev, Olexandr
Roitberg, Adrian E.
Text and Data Mining valid from 2017-12-19
Version of Record valid from 2017-12-19
Article History
Received: 10 August 2017
Accepted: 27 October 2017
First Online: 19 December 2017
Competing interests
: The authors declare no competing financial interests.