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Datasets:
InstaDeepAI
/
MLIPAudit-data
like
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InstaDeep Ltd
429
Languages:
English
Dataset card
Files
Files and versions
xet
Community
19
main
MLIPAudit-data
26.1 MB
3 contributors
History:
42 commits
lcolonn
leonwehrhan
Upload folding_stability.zip (
#19
)
d4163e4
12 minutes ago
.gitattributes
2.46 kB
initial commit
11 months ago
README.md
360 Bytes
Create README.md (#3)
11 months ago
bond_length_distribution.zip
2.34 kB
xet
Upload bond_length_distribution.zip (#14)
9 months ago
conformer_selection.zip
3.58 MB
xet
feat: add folmsbee to conformer selection (#17)
about 1 month ago
dihedral_scan.zip
3.09 MB
xet
Upload dihedral_scan.zip
11 months ago
folding_stability.zip
509 kB
xet
Upload folding_stability.zip (#19)
12 minutes ago
noncovalent_interactions.zip
3.01 MB
xet
Upload noncovalent_interactions.zip
9 months ago
nudged_elastic_band.zip
90.8 kB
xet
Upload nudged_elastic_band.zip (#12)
9 months ago
reactivity.zip
11.5 MB
xet
Upload reactivity.zip
10 months ago
reference_geometry_stability.zip
87.9 kB
xet
feat: rename small molecule minimization -> reference geometry stability
7 months ago
ring_planarity.zip
2.49 kB
xet
Upload bond length, ring planarity and small molecule minimization (#13)
9 months ago
sampling.zip
405 kB
xet
update-biomolecules (#15)
7 months ago
scaling.zip
2.2 MB
xet
Upload scaling.zip
10 months ago
solvent_radial_distribution.zip
77.7 kB
xet
Upload solvent_radial_distribution.zip
10 months ago
stability.zip
218 kB
xet
Upload stability.zip (#11)
9 months ago
tautomers.zip
1.28 MB
xet
Upload tautomers.zip
9 months ago
water_radial_distribution.zip
45.3 kB
xet
Upload water_radial_distribution.zip
10 months ago
