Cheng, Austin Henry

3 publications

ICLR 2025 Stiefel Flow Matching for Moment-Constrained Structure Elucidation Austin Henry Cheng, Alston Lo, Kin Long Kelvin Lee, Santiago Miret, Alan Aspuru-Guzik

NeurIPSW 2023 Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance Austin Henry Cheng, Alston Lo, Santiago Miret, Brooks Pate, Alan Aspuru-Guzik

NeurIPSW 2022 Group SELFIES: A Robust Fragment-Based Molecular String Representation Austin Henry Cheng, Andy Cai, Santiago Miret, Gustavo Malkomes, Mariano Phielipp, Alan Aspuru-Guzik