richlewis42 /
scikit-chem
| ⇢ | A | skchem.descriptors.AtomFeatureCalculator added |
| ⇢ | A | skchem.descriptors.tpsa_contrib() added | |
| ⇢ | A | skchem.descriptors.AtomFeatureCalculator.calculate... added | |
| ⇢ | A | skchem.descriptors.is_in_ring() added | |
| ⇢ | A | skchem.descriptors.atomic_number() added | |
| ⇢ | A | skchem.descriptors.formal_charge() added | |
| ⇢ | A | skchem.descriptors.num_hydrogens() added | |
| ⇢ | A | skchem.descriptors.labute_asa_contrib() added | |
| ⇢ | A | skchem.descriptors.num_implicit_hydrogens() added | |
| ⇢ | A | skchem.descriptors.is_h_acceptor() added | |
| ⇢ | A | skchem.descriptors.atomic_mass() added | |
| ⋮ | view more | ||
