292 citations · 341 across the 8 of their papers we have counts for
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cs.LG2023★ 9 cited
Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance
Austin Cheng, Alston Lo, Santiago Miret +2
Structure determination is necessary to identify unknown organic molecules, such as those in natural products, forensic samples, the interstellar medium, and laboratory syntheses.…
physics.chem-ph2023★ 25 cited
Recent advances in the Self-Referencing Embedding Strings (SELFIES) library
Alston Lo, Robert Pollice, AkshatKumar Nigam +3
String-based molecular representations play a crucial role in cheminformatics applications, and with the growing success of deep learning in chemistry, have been readily adopted in…