Datasets:

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 /Polyols

74.8 MB

1 contributor

History: 1 commit

AmirMasoud's picture

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

438149d verified 4 months ago

C3OC3OC4H22_PBE.traj

6.93 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
C3OC6OCH22_PBE.traj

6.93 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC10OH22_PBE.traj

6.93 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC11OH24_PBE.traj

7.41 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC3OC3OC3OCH22_PBE.traj

7.25 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC3OC6OCOH22_PBE.traj

7.25 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC6OC3OCH22_PBE.traj

7.09 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC6OC4OH22_PBE.traj

7.09 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC7OH16_PBE.traj

5.48 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC8OH18_PBE.traj

5.96 MB
xet

[UPLOAD] Dataset with PBE level of theory has been added 4 months ago
OC9OH20_PBE.traj

6.45 MB
xet

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