File size: 561 Bytes
e7382d3
864f9df
e7382d3
 
 
 
 
d6d9815
99f7548
e7382d3
 
 
 
d6d9815
 
e7382d3
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
{
  "reference_geometry_stability": 0.949729414232986,
  "water_radial_distribution": 1.0,
  "conformer_selection": 0.5789666490163515,
  "dihedral_scan": 0.7098767345652868,
  "tautomers": 0.23048425440108117,
  "reactivity": 0.8659739136549106,
  "sampling": 0.7019829858354867,
  "folding_stability": 0.5286821852023141,
  "stability": 1.0,
  "solvent_radial_distribution": 0.9512100306149219,
  "ring_planarity": 0.9780493812156213,
  "bond_length_distribution": 1.0,
  "noncovalent_interactions": 0.8413656960796265,
  "overall_score": 0.7951016342168142
}