s="reference external" href="https://arxiv.org/pdf/1704.01212.pdf">Neural Message Passing for Quantum Chemistry</a></p>
<p>Justin Gilmer, Samuel S. Schoenholz, Patrick F. Riley, Oriol Vinyals, George E. Dahl. ICML 2017.</p>
<p><a class="reference internal" href="api/layers.html#torchdrug.layers.MessagePassing" title="torchdrug.layers.MessagePassing"><code class="xref py py-class docutils literal notranslate"><span class="pre">MessagePassing</span></code></a>,
<a class="reference internal" href="api/models.h