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| "bond_length_distribution": 1.0, | |
| "conformer_selection": 0.9218676848002757, | |
| "dihedral_scan": 0.6500033585142689, | |
| "folding_stability": 0.0, | |
| "inference_speed": 0.2619981318352049, | |
| "noncovalent_interactions": 0.6112911394068771, | |
| "nudged_elastic_band": 0.19, | |
| "nve_energy_conservation": 1.0, | |
| "reactivity": 0.24370932851223165, | |
| "reference_geometry_stability": 1.0, | |
| "ring_planarity": 1.0, | |
| "sampling": 0.0, | |
| "solvent_density": 0.5020450986979526, | |
| "solvent_radial_distribution": 0.9767494445287872, | |
| "stability": 1.0, | |
| "tautomers": 0.03788850638708305, | |
| "water_density": 0.8867309590043417, | |
| "water_radial_distribution": 1.0, | |
| "overall_score": 0.6267935362048346 | |
| } |