m</span> <span class="nn">pymatgen.analysis.graphs</span> <span class="kn">import</span> <span class="n">MoleculeGraph</span><span class="p">,</span> <span class="n">StructureGraph</span>
<span class="kn">from</span> <span class="nn">pymatgen.core.lattice</span> <span class="kn">import</span> <span class="n">get_integer_index</span>
<span class="kn">from</span> <span class="nn">pymatgen.core.structure</span> <span class="kn">import</span> <span class="n">Structure</span><span class="p">,</span> <span class=