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Datasets:
InstaDeepAI
/
MLIPAudit-data

Languages:
English
Dataset card Files Files and versions
xet
Community
15
MLIPAudit-data
22.5 MB
  • 3 contributors
History: 36 commits
lcolonn's picture
lcolonn
leonwehrhan's picture
leonwehrhan
Upload bond_length_distribution.zip (#14)
6e9d3fb 3 months ago
  • .gitattributes
    2.46 kB
    initial commit 5 months ago
  • README.md
    360 Bytes
    Create README.md (#3) 5 months ago
  • bond_length_distribution.zip
    2.34 kB
    xet
    Upload bond_length_distribution.zip (#14) 3 months ago
  • conformer_selection.zip
    73.9 kB
    xet
    Upload conformer_selection.zip 5 months ago
  • dihedral_scan.zip
    3.09 MB
    xet
    Upload dihedral_scan.zip 5 months ago
  • folding_stability.zip
    416 kB
    xet
    Upload folding_stability.zip (#10) 3 months ago
  • noncovalent_interactions.zip
    3.01 MB
    xet
    Upload noncovalent_interactions.zip 3 months ago
  • reactivity.zip
    11.5 MB
    xet
    Upload reactivity.zip 4 months ago
  • ring_planarity.zip
    2.49 kB
    xet
    Upload bond length, ring planarity and small molecule minimization (#13) 3 months ago
  • sampling.zip
    512 kB
    xet
    Upload sampling.zip (#6) 3 months ago
  • scaling.zip
    2.2 MB
    xet
    Upload scaling.zip 4 months ago
  • small_molecule_minimization.zip
    87.9 kB
    xet
    Upload bond length, ring planarity and small molecule minimization (#13) 3 months ago
  • solvent_radial_distribution.zip
    77.7 kB
    xet
    Upload solvent_radial_distribution.zip 4 months ago
  • stability.zip
    218 kB
    xet
    Upload stability.zip (#11) 3 months ago
  • tautomers.zip
    1.28 MB
    xet
    Upload tautomers.zip 3 months ago
  • water_radial_distribution.zip
    45.3 kB
    xet
    Upload water_radial_distribution.zip 4 months ago