If Influence Functions are the Answer, Then What is the Question? - Juhan Bae; Nathan Ng 001; Alston Lo; Marzyeh Ghassemi; Roger B. Grosse (NeurIPS, 2022)

SELFIES and the future of molecular string representations. - Mario Krenn; Qianxiang Ai; Senja Barthel; Nessa Carson; Angelo Frei; Nathan C. Frey; Pascal Friederich; Théophile Gaudin; Alberto Alexander Gayle; Kevin Maik Jablonka; Rafael F. Lameiro; Dominik Lemm; et al. (Patterns, 2022)

Recent advances in the Self-Referencing Embedding Strings (SELFIES) library. - Alston Lo; Robert Pollice; AkshatKumar Nigam; Andrew D. White; Mario Krenn; Alán Aspuru-Guzik (CoRR, 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)

Syntax-Guided Procedural Synthesis of Molecules. - Michael Sun; Alston Lo; Wenhao Gao 001; Minghao Guo; Veronika Thost; Jie Chen 007; Connor W. Coley; Wojciech Matusik (CoRR, 2024)

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

Procedural Synthesis of Synthesizable Molecules. - Michael Sun; Alston Lo; Minghao Guo; Jie Chen 007; Connor W. Coley; Wojciech Matusik (ICLR, 2025)