| { | |
| "noncovalent_interactions": 0.7358150885389106, | |
| "dihedral_scan": 0.6631197690240137, | |
| "reactivity": 0.236648427363219, | |
| "conformer_selection": 0.20725511107594788, | |
| "tautomers": 0.11195727212859395, | |
| "reference_geometry_stability": 0.8996451517862166, | |
| "bond_length_distribution": 1.0, | |
| "ring_planarity": 1.0, | |
| "sampling": 0.7211476768633405, | |
| "water_radial_distribution": 1.0, | |
| "folding_stability": 0.5297587486300033, | |
| "stability": 0.904125, | |
| "solvent_radial_distribution": 0.9449916394793866, | |
| "overall_score": 0.6888049142222793 | |
| } |