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Datasets:
AmirMasoud
/
GMD
like
0
Tasks:
Other
Size:
100K<n<1M
Tags:
chemistry
molecular-dynamics
machine-learning-force-fields
mlff
benchmarking
compositional-generalisation
+ 3
License:
cc-by-4.0
Dataset card
Files
Files and versions
xet
Community
main
GMD
/
data
/
Amines
25 MB
1 contributor
History:
1 commit
AmirMasoud
[UPLOAD] Dataset with PBE level of theory has been added
438149d
verified
4 months ago
C4H11N_PBE.traj
4.03 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C5H13N_PBE.traj
4.51 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C6H15N_PBE.traj
5 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C7H17N_PBE.traj
5.48 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C8H19N_PBE.traj
5.96 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
