espaloma.data.collection.alkethoh

espaloma.data.collection.alkethoh(*args, **kwargs)[source]

AlkEthOH collection.

..[1] Open Force Field Consortium: Escaping atom types using direct chemical perception with SMIRNOFF v0.1 David L. Mobley, Caitlin C. Bannan, Andrea Rizzi, Christopher I. Bayly, John D. Chodera, Victoria T. Lim, Nathan M. Lim, Kyle A. Beauchamp, Michael R. Shirts, Michael K. Gilson, Peter K. Eastman bioRxiv 286542; doi: https://doi.org/10.1101/286542