richlewis42 /
scikit-chem
| ⇢ | A | skchem.descriptors.AtomFeatureCalculator added |
| ⇢ | A | skchem.descriptors.is_h_donor() added | |
| ⇢ | A | skchem.descriptors.is_aromatic() added | |
| ⇢ | A | skchem.descriptors.crippen_log_p_contrib() added | |
| ⇢ | A | skchem.descriptors.is_hetero() added | |
| ⇢ | A | skchem.descriptors.valence() added | |
| ⇢ | A | skchem.descriptors.implicit_valence() added | |
| ⇢ | A | skchem.descriptors.num_explicit_hydrogens() added | |
| ⇢ | A | skchem.descriptors.crippen_molar_refractivity_cont... added | |
| ⇢ | A | skchem.descriptors.is_hybridized() added | |
| ⇢ | A | skchem.descriptors.tpsa_contrib() added | |
| ⋮ | view more | ||
