Smith, Justin S <br/><br/>
ANI-1, A data set of 20 million calculated off-equilibrium conformations for organic molecules.  [electronic resource] 

 -  Scientific data  12 2017 
 - 170193 p.  digital 
<br/><br/> Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, U.S. Gov't, Non-P.H.S. 
<br/><br/><label>ISSN: </label>2052-4463 
<br/><br/><label>Standard No.: </label>10.1038/sdata.2017.193  doi