Methods › Graphs › Graph Models › MXMNet
Multiplex Molecular Graph Neural Network
MXMNet
Introduced by Shuo Zhang et al. in Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures
archive 2025-07-28 Description, source and code snippet are the archive's method entry.
The Multiplex Molecular Graph Neural Network (MXMNet) is an approach for the representation learning of molecules. The molecular interactions are divided into two categories: local and global. Then a two-layer multiplex graph G = Gₗ, G_g is constructed for a molecule. In G, the local layer Gₗ only contains the local connections that mainly capture covalent interactions, and the global layer G_g contains the global connections that cover non-covalent interactions. MXMNet uses the Multiplex Molecular (MXM) module that contains a novel angle-aware message passing operated on Gₗ and an efficient message passing operated on G_g.
Papers archive 2025-07-28
1 shown of 1, newest first. Repository counts are the archive's code-links table. A Syntology line states what Syntology ran from that paper's harvested code; it is per sample and not a correctness claim.
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Molecular Mechanics-Driven Graph Neural Network with Multiplex Graph for Molecular Structures 15 Nov 2020 · 3 repositories · arXiv:2011.07457
Tasks archive 2025-07-28
3 tasks the archive attaches to papers tagged with this method, by distinct papers. A task without a page in the catalog is plain text.
| Task | Papers |
|---|---|
| Drug Discovery | 1 |
| Formation Energy | 1 |
| Graph Neural Network | 1 |
Usage over time archive 2025-07-28
Components: the archive holds no method-to-method composition, so PwC's Components table cannot be rebuilt; the Papers list carries no Results column for the same reason (the archive does not join its leaderboard rows to method tags).
Categories archive 2025-07-28
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