Pinned Loading

1. MSA-2.0 MSA-2.0 Public

   Fitting potential energy surface using monomial symmetrization approach

   C++ 15 4

2. jmbowma/QM-22 jmbowma/QM-22 Public

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

   9 1

3. pippes pippes Public

   A collection of Permutationally Invariant Polynomial PESs interfaced with i-PI

   Fortran 1

4. MULTIMODE MULTIMODE Public

   Software for VSCF/VCI calculations - A Bowman group production

   Fortran 4

5. i-pi i-pi Public

   Forked from i-pi/i-pi

   i-PI: a universal force engine

   Python

6. MLP-VPT2 MLP-VPT2 Public

   A code to perform VPT2 calculations of anharmonic vibrational frequencies using machine-learned potentials

   Fortran