Datasets:

AmirMasoud
/

GMD

Tasks:

Size:

Tags:

molecular-dynamics

machine-learning-force-fields

compositional-generalisation

License:

Dataset card Files Files and versions

GMD / data /Alkanes

245 MB

1 contributor

History: 1 commit

AmirMasoud's picture

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

438149d verified 4 months ago

C10H22_PBE.traj

3.45 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C11H24_PBE.traj

3.73 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C12H26_PBE.traj

4.11 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C13H28_PBE.traj

5.06 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C14H30_PBE.traj

8.54 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C15H32_PBE.traj

9.02 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C16H34_PBE.traj

9.5 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C17H36_PBE.traj

9.99 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C18H38_PBE.traj

10.5 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C19H40_PBE.traj

11 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C20H42_PBE.traj

11.4 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C21H44_PBE.traj

11.9 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C22H46_PBE.traj

12.4 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C23H48_PBE.traj

12.9 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C24H50_PBE.traj

13.4 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C25H52_PBE.traj

13.8 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C26H54_PBE.traj

14.3 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C27H56_PBE.traj

14.8 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C28H58_PBE.traj

15.3 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C29H60_PBE.traj

15.8 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C2H6_PBE.traj

1.23 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C30H62_PBE.traj

16.3 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C3H8_PBE.traj

1.45 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C4H10_PBE.traj

1.82 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C5H12_PBE.traj

2.02 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C6H14_PBE.traj

2.33 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C7H16_PBE.traj

2.59 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C8H18_PBE.traj

2.85 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C9H20_PBE.traj

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