Datasets:

InstaDeepAI
/

MLIPAudit-data

Languages:

Dataset card Files Files and versions

22.6 MB

3 contributors

History: 33 commits

chrbrunk's picture

leonwehrhan's picture

Upload bond length, ring planarity and small molecule minimization (#13)

bec98bb 6 months ago

.gitattributes

2.46 kB
initial commit 9 months ago
README.md

360 Bytes
Create README.md (#3) 9 months ago
bond_length_distribution.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
2.17 kB
xet

Upload bond length, ring planarity and small molecule minimization (#13) 6 months ago
conformer_selection.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
73.9 kB
xet

Upload conformer_selection.zip 9 months ago
dihedral_scan.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
3.09 MB
xet

Upload dihedral_scan.zip 9 months ago
folding_stability.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
275 kB
xet

Upload folding_stability.zip 8 months ago
noncovalent_interactions.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
3.01 MB
xet

Upload noncovalent_interactions.zip 7 months ago
reactivity.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
11.5 MB
xet

Upload reactivity.zip 8 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) 6 months ago
sampling.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
512 kB
xet

Upload sampling.zip (#6) 7 months ago
scaling.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
2.2 MB
xet

Upload scaling.zip 8 months ago
small_molecule_minimization.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
87.9 kB
xet

Upload bond length, ring planarity and small molecule minimization (#13) 6 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 8 months ago
stability.zip
Pickle imports
- No problematic imports detected
What is a pickle import?
444 kB
xet

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

Upload tautomers.zip 7 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 8 months ago