Bingqing Cheng,
Edgar A. Engel,
Jörg Behler,
Christoph Dellago,
Michele Ceriotti,
Version 0 of Colab Fit Dataset published 2023 via ColabFit
1590 configurations of H2O/water with total energy and forces calculated using a hybrid approach at DFT/revPBE0-D3 level of theory.