Hugging Face
Models
Datasets
Spaces
Buckets
new
Docs
Enterprise
Pricing
Website
Tasks
HuggingChat
Collections
Languages
Organizations
Community
Blog
Posts
Daily Papers
Hardware
Learn
Discord
Forum
GitHub
Solutions
Team & Enterprise
Hugging Face PRO
Enterprise Support
Inference Providers
Inference Endpoints
Storage Buckets
Log In
Sign Up
Datasets:
InstaDeepAI
/
MLIPAudit-data
like
0
Follow
InstaDeep Ltd
432
Languages:
English
Dataset card
Files
Files and versions
xet
Community
28
refs/pr/28
MLIPAudit-data
27.8 MB
4 contributors
History:
50 commits
lcolonn
Add inference_speed.zip (repack/rename of scaling dataset)
1e00b9b
verified
about 13 hours ago
.gitattributes
Safe
2.46 kB
initial commit
about 1 year ago
README.md
Safe
360 Bytes
Create README.md (#3)
about 1 year ago
bond_length_distribution.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
2.34 kB
xet
Upload bond_length_distribution.zip (#14)
10 months ago
conformer_selection.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
3.58 MB
xet
feat: add folmsbee to conformer selection (#17)
2 months ago
dihedral_scan.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
3.09 MB
xet
Upload dihedral_scan.zip
12 months ago
folding_stability.zip
Safe
386 kB
xet
Update folding_stability.zip: villin + shared sampling data (flat layout) (#26)
about 14 hours ago
inference_speed.zip
2.2 MB
xet
Add inference_speed.zip (repack/rename of scaling dataset)
about 13 hours ago
noncovalent_interactions.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
3.01 MB
xet
Upload noncovalent_interactions.zip
11 months ago
nudged_elastic_band.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
90.8 kB
xet
Upload nudged_elastic_band.zip (#12)
10 months ago
nve_energy_conservation.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
61.2 kB
xet
Upload nve_energy_conservation.zip (#20)
about 1 month ago
reactivity.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
11.5 MB
xet
Upload reactivity.zip
11 months ago
reference_geometry_stability.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
87.9 kB
xet
feat: rename small molecule minimization -> reference geometry stability
8 months ago
ring_planarity.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
2.49 kB
xet
Upload bond length, ring planarity and small molecule minimization (#13)
10 months ago
scaling.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
2.2 MB
xet
Upload scaling.zip
11 months ago
solvent_radial_distribution.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
82.9 kB
xet
Use equilibriated CCl4 (#23)
21 days ago
stability.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
218 kB
xet
Upload stability.zip (#11)
10 months ago
tautomers.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
1.28 MB
xet
Upload tautomers.zip
11 months ago
water_radial_distribution.zip
Safe
pickle
Pickle imports
No problematic imports detected
What is a pickle import?
46.9 kB
xet
Update molecular liquids (#22)
21 days ago
