span class="bp">self</span><span class="o">.</span><span class="n">molgraph</span> <span class="o">=</span> <span class="n">MoleculeGraph</span><span class="o">.</span><span class="n">with_local_env_strategy</span><span class="p">(</span><span class="bp">self</span><span class="o">.</span><span class="n">molecule</span><span class="p">,</span>
                                                                  <span class="n">OpenBabelNN</span><span class="p">())</span>

        <span class="c1"># Assign a sp