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1. MSA-2.0 MSA-2.0 Public

   Fitting potential energy surface using monomial symmetrization approach

   C++ 13 4

2. alkane_PES alkane_PES Public

   A generic potential energy surface transferable to n-alkanes

   Fortran

3. jmbowma/q-AQUA jmbowma/q-AQUA Public

   The PES and electronic energy datatsets

   6 2

4. jmbowma/QM-22 jmbowma/QM-22 Public

   Datasets of molecules that are "certified" for diffusion Monte Carlo calculations of the zero-point state

   5 1