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Datasets:
InstaDeepAI
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MLIPAudit-data
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InstaDeep Ltd
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MLIPAudit-data
21.9 MB
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29 commits
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README.md
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bond_length_distribution.zip
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conformer_selection.zip
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dihedral_scan.zip
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folding_stability.zip
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noncovalent_interactions.zip
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reactivity.zip
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ring_planarity.zip
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scaling.zip
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small_molecule_minimization.zip
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solvent_radial_distribution.zip
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stability.zip
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tautomers.zip
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water_radial_distribution.zip
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