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AmirMasoud
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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 /DiCarboxylicAcids

91.8 MB

1 contributor

History: 1 commit

AmirMasoud's picture

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

438149d verified 4 months ago

O4C10H18_PBE.traj

6.61 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C11H20_PBE.traj

7.09 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C12H22_PBE.traj

7.57 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C13H24_PBE.traj

8.05 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C14H26_PBE.traj

8.54 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C15H28_PBE.traj

9.02 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C16H30_PBE.traj

9.5 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C2H2_PBE.traj

2.73 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C3H4_PBE.traj

3.23 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C4H6_PBE.traj

3.71 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C5H8_PBE.traj

4.19 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C6H10_PBE.traj

4.67 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C7H12_PBE.traj

5.16 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C8H14_PBE.traj

5.64 MB
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[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
O4C9H16_PBE.traj

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