feat: update uma-small with folding stability
Browse files
UMA-small_ext/folding_stability/result.json
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UMA-small_ext/score.json
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@@ -1,13 +1,13 @@
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{
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"reference_geometry_stability": 0.949729414232986,
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"water_radial_distribution": 1.0,
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"overall_score": 0.
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"conformer_selection": 0.5789666490163515,
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"dihedral_scan": 0.7098767345652868,
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"tautomers": 0.23048425440108117,
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"reactivity": 0.8659739136549106,
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"sampling": 0.7503262152862119,
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-
"folding_stability": 0.
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"stability": 1.0,
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"solvent_radial_distribution": 0.9512100306149219,
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"ring_planarity": 0.9780493812156213,
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{
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"reference_geometry_stability": 0.949729414232986,
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| 3 |
"water_radial_distribution": 1.0,
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+
"overall_score": 0.7988203441745625,
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"conformer_selection": 0.5789666490163515,
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| 6 |
"dihedral_scan": 0.7098767345652868,
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| 7 |
"tautomers": 0.23048425440108117,
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| 8 |
"reactivity": 0.8659739136549106,
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| 9 |
"sampling": 0.7503262152862119,
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+
"folding_stability": 0.5286821852023141,
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"stability": 1.0,
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"solvent_radial_distribution": 0.9512100306149219,
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"ring_planarity": 0.9780493812156213,
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