                               <span class="s2">&quot;Molecule object, or a MoleculeGraph object.&quot;</span><span class="p">)</span>

        <span class="k">elif</span> <span class="nb">isinstance</span><span class="p">(</span><span class="n">molecule</span><span class="p">,</span> <span class="n">Molecule</span><span class="p">):</span>
            <span class="k">if</span> <span class="n">optimize</span><span class="p">:</span>
                <span class="n">obmol</span> <span class="o">=</span> <span