espaloma.data.qcarchive\_utils.MolWithTargets ============================================= .. currentmodule:: espaloma.data.qcarchive_utils .. autoclass:: MolWithTargets :members: :show-inheritance: :inherited-members: .. automethod:: __init__ .. rubric:: Methods .. autosummary:: ~MolWithTargets.__init__ ~MolWithTargets.count ~MolWithTargets.index .. rubric:: Attributes .. autosummary:: ~MolWithTargets.energies ~MolWithTargets.gradients ~MolWithTargets.offmol ~MolWithTargets.xyz