Austin H. Cheng

According to our database, Austin H. Cheng authored at least 8 papers between 2022 and 2025.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2025

Scalable Autoregressive 3D Molecule Generation.

Austin H. Cheng, Chong Sun, Alán Aspuru-Guzik

CoRR, May, 2025

El Agente: An Autonomous Agent for Quantum Chemistry.

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

CoRR, May, 2025

Stiefel Flow Matching for Moment-Constrained Structure Elucidation.

Austin Henry Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alán Aspuru-Guzik

Proceedings of the Thirteenth International Conference on Learning Representations, 2025

2024

Towards the prediction of drug solubility in binary solvent mixtures at various temperatures using machine learning.

Zeqing Bao, Gary Tom, Austin H. Cheng, Jeffrey Watchorn, Alán Aspuru-Guzik, Christine Allen

J. Cheminformatics, December, 2024

Closed-loop transfer enables artificial intelligence to yield chemical knowledge.

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

Nat., 2024

How to do impactful research in artificial intelligence for chemistry and materials science.

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

CoRR, 2024

2023

Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance.

Austin H. Cheng, Alston Lo, Santiago Miret, Brooks Pate, Alán Aspuru-Guzik

CoRR, 2023

2022

Group SELFIES: A Robust Fragment-Based Molecular String Representation.

Austin H. Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alán Aspuru-Guzik

CoRR, 2022