Datasets:

InstaDeepAI
/

MLIPAudit-data

Languages:

Dataset card Files Files and versions

25.8 MB

3 contributors

History: 41 commits

lcolonn's picture

feat: add folmsbee to zip

68f785c 3 days ago

.gitattributes

2.46 kB
initial commit 10 months ago
README.md

360 Bytes
Create README.md (#3) 10 months ago
bond_length_distribution.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
2.34 kB
xet

Upload bond_length_distribution.zip (#14) 8 months ago
conformer_selection.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
3.58 MB
xet

feat: add folmsbee to zip 3 days ago
dihedral_scan.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
3.09 MB
xet

Upload dihedral_scan.zip 10 months ago
folding_stability.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
221 kB
xet

update-biomolecules (#15) 6 months ago
noncovalent_interactions.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
3.01 MB
xet

Upload noncovalent_interactions.zip 8 months ago
nudged_elastic_band.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
90.8 kB
xet

Upload nudged_elastic_band.zip (#12) 8 months ago
reactivity.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
11.5 MB
xet

Upload reactivity.zip 9 months ago
reference_geometry_stability.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
87.9 kB
xet

feat: rename small molecule minimization -> reference geometry stability 6 months ago
ring_planarity.zip
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) 8 months ago
sampling.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
405 kB
xet

update-biomolecules (#15) 6 months ago
scaling.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
2.2 MB
xet

Upload scaling.zip 9 months ago
solvent_radial_distribution.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
77.7 kB
xet

Upload solvent_radial_distribution.zip 9 months ago
stability.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
218 kB
xet

Upload stability.zip (#11) 8 months ago
tautomers.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
1.28 MB
xet

Upload tautomers.zip 8 months ago
water_radial_distribution.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
45.3 kB
xet

Upload water_radial_distribution.zip 9 months ago