kyonofx / MDsim

[TMLR 2023] Training and simulating MD with ML force fields

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Regarding units of training data

utkarshp1161 opened this issue · comments

What is the unit of the following training data available at https://zenodo.org/record/7196767 ?

  1. distance
  2. energy
  3. force
  1. Å
  2. eV
  3. eV/Å