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Datasets:
AmirMasoud
/
GMD

Tasks:
Other
Size:
100K<n<1M
Tags:
chemistry
molecular-dynamics
machine-learning-force-fields
mlff
benchmarking
compositional-generalisation
License:
Dataset card Files Files and versions
xet
Community
GMD / data /AminoAcids
45 MB
  • 1 contributor
History: 1 commit
AmirMasoud's picture
AmirMasoud
[UPLOAD] Dataset with PBE level of theory has been added
438149d verified 4 months ago
  • NC10O2H21_PBE.traj
    6.93 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC2O2H5_PBE.traj
    3.06 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC3O2H7_PBE.traj
    3.55 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC4O2H9_PBE.traj
    4.03 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC5O2H11_PBE.traj
    4.51 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC6O2H13_PBE.traj
    5 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC7O2H15_PBE.traj
    5.48 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC8O2H17_PBE.traj
    5.96 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago
  • NC9O2H19_PBE.traj
    6.45 MB
    xet
    [UPLOAD] Dataset with PBE level of theory has been added 4 months ago