Login / Signup
ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules.
Justin S. Smith
Olexandr Isayev
Adrian E. Roitberg
Published in:
CoRR (2017)
Keyphrases
</>
data sets
discrete fourier transform
nash equilibrium
training data
frequency domain
benchmark data sets
training set
input data
variational inequalities
data streams
game theory
real world data sets
nash equilibria
single commodity