Datasets:

InstaDeepAI
/

mlipaudit-results

lcolonn commited on 11 days ago

Commit

febaaf6

1 Parent(s): 9714d0a

feat: add conformer selection to mace-off

Files changed (1) hide show

MACE-OFF_ext/score.json CHANGED Viewed

@@ -11,5 +11,6 @@
   "ring_planarity": 0.9939567629914084,
   "bond_length_distribution": 1.0,
   "solvent_radial_distribution": 0.898713378685734,
   "stability": 1.0
 }

   "ring_planarity": 0.9939567629914084,
   "bond_length_distribution": 1.0,
   "solvent_radial_distribution": 0.898713378685734,
+  "conformer_selection": 0.2048246523648094,
   "stability": 1.0
 }