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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
/
Amides
1 contributor
History:
1 commit
AmirMasoud
[UPLOAD] Dataset with PBE level of theory has been added
438149d
verified
4 months ago
C4H9NO_PBE.traj
3.87 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C5H11NO_PBE.traj
4.35 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C6H13NO_PBE.traj
4.83 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C7H15NO_PBE.traj
5.32 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
C8H17NO_PBE.traj
Safe
5.8 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
