lcolonn commited on
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b17e876
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1 Parent(s): c1d6c58

feat: update visnet-spice2-t1x scores with biomolecules

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  1. ViSNet-SPICE2-t1x_int/score.json +3 -3
ViSNet-SPICE2-t1x_int/score.json CHANGED
@@ -4,13 +4,13 @@
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  "bond_length_distribution": 1.0,
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  "conformer_selection": 0.3971067453579381,
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  "dihedral_scan": 0.7042945583431076,
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- "folding_stability": 0.1785532498568941,
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  "noncovalent_interactions": 0.6800306401316607,
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  "reactivity": 0.7444415272443785,
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  "ring_planarity": 1.0,
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  "solvent_radial_distribution": 0.8980191035932198,
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  "stability": 0.750625,
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  "tautomers": 0.0928108147552023,
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- "sampling": 0.685379509422757,
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- "overall_score": 0.6970493286301882
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  }
 
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  "bond_length_distribution": 1.0,
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  "conformer_selection": 0.3971067453579381,
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  "dihedral_scan": 0.7042945583431076,
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+ "folding_stability": 0.5306737757303162,
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  "noncovalent_interactions": 0.6800306401316607,
9
  "reactivity": 0.7444415272443785,
10
  "ring_planarity": 1.0,
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  "solvent_radial_distribution": 0.8980191035932198,
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  "stability": 0.750625,
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  "tautomers": 0.0928108147552023,
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+ "sampling": 0.6600913270829193,
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+ "overall_score": 0.7221902781327718
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  }