Donchev et al DES370K.csv (279.84 MB)
Donchev et al. DES370K
dataset
posted on 2021-01-29, 15:15 authored by David E. Shaw, John Klepeis, Alexander G. Donchev, Andrew G. Taube, Elizabeth Decolvenaere, Cory Hargus, Robert T. McGibbon, Ka-Hei Law, Brent A. Gregersen, Je-Luen Li, Kim Palmo, Karthik Siva, Michael BergdorfFull dataset, containing interaction energies calculated using CCSD(T), MP2, HF, and SAPT0, as well as dimer geometries.