This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

  • ml_data.zip: Features and labels for machine learning (zipped folder of csv files)
  • rg_runs.zip: LAMMPS input files for the calculation of the radii of gyration.
  • README.txt: Detailed description of the filecontents.
  • dimer_runs2.zip: LAMMPS and SSAGES input files for the calculation of the dimer free energy.
  • adsorption_runs.zip: LAMMPS and SSAGES input files for the calculation of the free energy of adsorption.