3 citations · 7 across the 7 of their papers we have counts for
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physics.chem-ph2024★ 3 cited
Accurate and efficient structure elucidation from routine one-dimensional NMR spectra using multitask machine learning
Frank Hu, Michael S. Chen, Grant M. Rotskoff +2
Rapid determination of molecular structures can greatly accelerate workflows across many chemical disciplines. However, elucidating structure using only one-dimensional (1D) NMR sp…
cs.LG2024★ 2 cited
Aligning Transformers with Continuous Feedback via Energy Rank Alignment
Shriram Chennakesavalu, Frank Hu, Sebastian Ibarraran +1
Searching through chemical space is an exceptionally challenging problem because the number of possible molecules grows combinatorially with the number of atoms. Large, autoregress…