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AmirMasoud
/

GMD

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Tags:

molecular-dynamics

machine-learning-force-fields

compositional-generalisation

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Dataset card Files Files and versions

GMD / data /DiAmines

55.6 MB

1 contributor

History: 1 commit

AmirMasoud's picture

[UPLOAD] Dataset with PBE level of theory has been added

438149d verified 4 months ago

N2C10H24_PBE.traj

7.25 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C11H26_PBE.traj

7.73 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C2H8_PBE.traj

3.38 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C3H10_PBE.traj

3.87 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C4H12_PBE.traj

4.35 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C5H14_PBE.traj

4.83 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C6H16_PBE.traj

5.32 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C7H18_PBE.traj

5.8 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C8H20_PBE.traj

6.28 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
N2C9H22_PBE.traj

6.77 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago