50 citations · 73 across the 4 of their papers we have counts for
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cs.LG2025★ 4 cited
Scalable Autoregressive 3D Molecule Generation
Austin H. Cheng, Chong Sun, Alán Aspuru-Guzik
Generative models of 3D molecular structure play a rapidly growing role in the design and simulation of molecules. Diffusion models currently dominate the space of 3D molecule gene…
cs.AI2025★ 50 cited
El Agente: An Autonomous Agent for Quantum Chemistry
Yunheng Zou, Austin H. Cheng, Abdulrahman Aldossary +13
Computational chemistry tools are widely used to study the behaviour of chemical phenomena. Yet, the complexity of these tools can make them inaccessible to non-specialists and cha…