Update nequip_organics_ext/score.json
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nequip_organics_ext/score.json
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{
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"water_radial_distribution": 0.4996572251509411,
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"solvent_radial_distribution": 0.9132022419918042,
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"reactivity": 0.23664106700412493,
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{
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"conformer_selection": 0.21000847286009836,
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"tautomers": 0.11605804040850388,
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"noncovalent_interactions": 0.7355244589919417,
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"dihedral_scan": 0.6635084436007028,
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"ring_planarity": 1.0,
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"small_molecule_minimization": 0.8352732355249907,
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"folding_stability": 0.5383045508770575,
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"bond_length_distribution": 0.7508403573065915,
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"water_radial_distribution": 0.4996572251509411,
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"solvent_radial_distribution": 0.9132022419918042,
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"reactivity": 0.23664106700412493,
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