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Datasets:
InstaDeepAI
/
MLIPAudit-data

Languages:
English
Dataset card Files Files and versions
xet
Community
15
MLIPAudit-data
7.79 MB
  • 3 contributors
History: 25 commits
lcolonn's picture
lcolonn
Upload solvent_radial_distribution.zip
34300f5 4 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
    2.03 kB
    xet
    Upload bond_length_distribution.zip 4 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
    275 kB
    xet
    Upload folding_stability.zip 4 months ago
  • noncovalent_interactions.zip
    3.01 MB
    xet
    Upload noncovalent_interactions.zip (#5) 4 months ago
  • ring_planarity.zip
    2 kB
    xet
    Upload ring_planarity.zip 4 months ago
  • small_molecule_minimization.zip
    83.6 kB
    xet
    Update small_mole_min.zip 4 months ago
  • solvent_radial_distribution.zip
    77.7 kB
    xet
    Upload solvent_radial_distribution.zip 4 months ago
  • tautomers.zip
    1.13 MB
    xet
    Upload tautomers.zip 5 months ago
  • water_radial_distribution.zip
    45.3 kB
    xet
    Upload water_radial_distribution.zip 4 months ago