richlewis42 /
scikit-chem
| ⇢ | A | br_topographic_electronic_descriptor() added | |
| ⇢ | A | n_hba() added | |
| ⇢ | A | n_bond_order() added | |
| ⇢ | A | graph_density() added | |
| ⇢ | A | gasteiger_charges() added | |
| ⇢ | A | fract_rotatable_bonds() added | |
| ⇢ | A | n_paths() added | |
| ⇢ | A | n_hbd_lipinski() added | |
| ⇢ | A | max_partial_charge() added | |
| ⇢ | A | sum_van_der_waals_volume() added | |
| ⋮ | view more | ||
| B | ↗ | A | n_atoms() improved |
