cosmolkit-core 0.1.3

Rust-native cheminformatics and structural biology toolkit for molecules, SMILES, SDF, molecular graphs, conformers, and AI-ready workflows
Documentation
H_	0.354	4.528
H_b	0.46	4.528
He4+4	0.849	9.66
Li	1.336	3.006
Be3+2	1.074	4.877
B_3	0.838	5.11
B_2	0.828	5.11
C_3	0.757	5.343
C_R	0.729	5.343
C_2	0.732	5.343
C_1	0.706	5.343
N_3	0.7	6.899
N_R	0.699	6.899
N_2	0.685	6.899
N_1	0.656	6.899
O_3	0.658	8.741
O_3_z	0.528	8.741
O_R	0.68	8.741
O_2	0.634	8.741
O_1	0.639	8.741
F_	0.668	10.874
Ne4+4	0.92	11.04
Na	1.539	2.843
Mg3+2	1.421	3.951
Al3	1.244	4.06
Si3	1.117	4.168
P_3+3	1.101	5.463
P_3+5	1.056	5.463
P_3+q	1.056	5.463
S_3+2	1.064	6.928
S_3+4	1.049	6.928
S_3+6	1.027	6.928
S_R	1.077	6.928
S_2	0.854	6.928
Cl	1.044	8.564
Ar4+4	1.032	9.465
K_	1.953	2.421
Ca6+2	1.761	3.231
Sc3+3	1.513	3.395
Ti3+4	1.412	3.47
Ti6+4	1.412	3.47
V_3+5	1.402	3.65
Cr6+3	1.345	3.415
Mn6+2	1.382	3.325
Fe3+2	1.27	3.76
Fe6+2	1.335	3.76
Co6+3	1.241	4.105
Ni4+2	1.164	4.465
Cu3+1	1.302	4.2
Zn3+2	1.193	5.106
Ga3+3	1.26	3.641
Ge3	1.197	4.051
As3+3	1.211	5.188
Se3+2	1.19	6.428
Br	1.192	7.79
Kr4+4	1.147	8.505
Rb	2.26	2.331
Sr6+2	2.052	3.024
Y_3+3	1.698	3.83
Zr3+4	1.564	3.4
Nb3+5	1.473	3.55
Mo6+6	1.467	3.465
Mo3+6	1.484	3.465
Tc6+5	1.322	3.29
Ru6+2	1.478	3.575
Rh6+3	1.332	3.975
Pd4+2	1.338	4.32
Ag1+1	1.386	4.436
Cd3+2	1.403	5.034
In3+3	1.459	3.506
Sn3	1.398	3.987
Sb3+3	1.407	4.899
Te3+2	1.386	5.816
I_	1.382	6.822
Xe4+4	1.267	7.595
Cs	2.57	2.183
Ba6+2	2.277	2.814
La3+3	1.943	2.8355
Ce6+3	1.841	2.774
Pr6+3	1.823	2.858
Nd6+3	1.816	2.8685
Pm6+3	1.801	2.881
Sm6+3	1.78	2.9115
Eu6+3	1.771	2.8785
Gd6+3	1.735	3.1665
Tb6+3	1.732	3.018
Dy6+3	1.71	3.0555
Ho6+3	1.696	3.127
Er6+3	1.673	3.1865
Tm6+3	1.66	3.2514
Yb6+3	1.637	3.2889
Lu6+3	1.671	2.9629
Hf3+4	1.611	3.7
Ta3+5	1.511	5.1
W_6+6	1.392	4.63
W_3+4	1.526	4.63
W_3+6	1.38	4.63
Re6+5	1.372	3.96
Re3+7	1.314	3.96
Os6+6	1.372	5.14
Ir6+3	1.371	5
Pt4+2	1.364	4.79
Au4+3	1.262	4.894
Hg1+2	1.34	6.27
Tl3+3	1.518	3.2
Pb3	1.459	3.9
Bi3+3	1.512	4.69
Po3+2	1.5	4.21
At	1.545	4.75
Rn4+4	1.42	5.37
Fr	2.88	2
Ra6+2	2.512	2.843
Ac6+3	1.983	2.835
Th6+4	1.721	3.175
Pa6+4	1.711	2.985
U_6+4	1.684	3.341
Np6+4	1.666	3.549
Pu6+4	1.657	3.243
Am6+4	1.66	2.9895
Cm6+3	1.801	2.8315
Bk6+3	1.761	3.1935
Cf6+3	1.75	3.197
Es6+3	1.724	3.333
Fm6+3	1.712	3.4
Md6+3	1.689	3.47
No6+3	1.679	3.475
Lw6+3	1.698	3.5