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homo_scaled
float64
atom_count_scaled
float64
zpve_scaled
float64
u0_scaled
float64
num_H_scaled
float64
hydrogen_ratio_scaled
float64
hetero_atom_ratio_scaled
float64
num_C_scaled
float64
Clean_Cluster_0
float64
hetero_atom_count_scaled
float64
molecule_size_group_medium
float64
heavy_atom_count_scaled
float64
gap_scaled
float64
molecular_weight_scaled
float64
Clean_Cluster_1
float64
num_N_scaled
float64
r2_scaled
float64
Clean_Cluster_2
float64
molecule_size_group_small
float64
A_scaled
float64
dominant_heavy_atom_N
float64
zpve_scaled_squared
float64
alpha_scaled
float64
Clean_Distance_To_Centroid
float64
homo_scaled_squared
float64
homo_scaled_x_atom_count_scaled
float64
num_F_scaled
float64
atom_count_scaled_squared
float64
C_scaled
float64
num_O_scaled
float64
mu_scaled
float64
g298_scaled
float64
h298_scaled
float64
u298_scaled
float64
cv_scaled
float64
dominant_heavy_atom_O
float64
B_scaled
float64
carbon_ratio_scaled
float64
dominant_heavy_atom_F
float64
homo_scaled_x_zpve_scaled
float64
lumo_scaled
float64
atom_count_scaled_x_zpve_scaled
float64
actual_gap
float64
is_synthetic
int64
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