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ORCIDAustin H. Cheng
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- affiliation: University of Toronto, ON, Canada
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2020 – today
- 2025
[c1]Austin Henry Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alán Aspuru-Guzik:
Stiefel Flow Matching for Moment-Constrained Structure Elucidation. ICLR 2025- [i6]Yunheng Zou, Austin H. Cheng, Abdulrahman Aldossary, Jiaru Bai, Shi Xuan Leong, Jorge A. Campos Gonzalez Angulo, Changhyeok Choi, Cher Tian Ser, Gary Tom, Andrew Wang, Zijian Zhang, Ilya Yakavets, Han Hao, Chris Crebolder, Varinia Bernales, Alán Aspuru-Guzik:
El Agente: An Autonomous Agent for Quantum Chemistry. CoRR abs/2505.02484 (2025) - [i5]Austin H. Cheng, Chong Sun, Alán Aspuru-Guzik:
Scalable Autoregressive 3D Molecule Generation. CoRR abs/2505.13791 (2025) - 2024
- [j2]Zeqing Bao, Gary Tom, Austin H. Cheng, Jeffrey Watchorn, Alán Aspuru-Guzik, Christine Allen:
Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learning. J. Cheminformatics 16(1): 117 (2024) - [j1]Nicholas H. Angello
, David M. Friday, Changhyun Hwang, Seungjoo Yi, Austin H. Cheng, Tiara Torres-Flores, Edward R. Jira, Wesley Wang, Alán Aspuru-Guzik, Martin D. Burke, Charles M. Schroeder, Ying Diao, Nicholas E. Jackson:
Closed-loop transfer enables artificial intelligence to yield chemical knowledge. Nat. 633(8029): 351-358 (2024) - [i4]Austin H. Cheng, Cher Tian Ser, Marta Skreta, Andrés Guzmán-Cordero, Luca A. Thiede, Andreas Burger, Abdulrahman Aldossary, Shi Xuan Leong, Sergio Pablo-García, Felix Strieth-Kalthoff, Alán Aspuru-Guzik:
How to do impactful research in artificial intelligence for chemistry and materials science. CoRR abs/2409.10304 (2024) - [i3]Austin H. Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alán Aspuru-Guzik:
Stiefel Flow Matching for Moment-Constrained Structure Elucidation. CoRR abs/2412.12540 (2024) - 2023
- [i2]Austin H. Cheng, Alston Lo, Santiago Miret, Brooks Pate, Alán Aspuru-Guzik:
Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance. CoRR abs/2310.11609 (2023) - 2022
- [i1]Austin H. Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alán Aspuru-Guzik:
Group SELFIES: A Robust Fragment-Based Molecular String Representation. CoRR abs/2211.13322 (2022)
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