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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
/
KetoAldehydes
1 contributor
History:
1 commit
AmirMasoud
[UPLOAD] Dataset with PBE level of theory has been added
438149d
verified
4 months ago
C4OC5OC2H20_PBE.traj
Safe
6.77 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC10OH20_PBE.traj
6.77 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC2OC5OC2OH14_PBE.traj
5.96 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC2OC6OC2OH16_PBE.traj
6.44 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC2OCOC3OC2OH10_PBE.traj
5.32 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC2OCOC5OC2OH14_PBE.traj
6.28 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC2OCOC7H18_PBE.traj
Safe
6.61 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
COC8OC2OH18_PBE.traj
6.61 MB
xet
[UPLOAD] Dataset with PBE level of theory has been added
4 months ago
