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20242026
most citedDiffMS: Diffusion Generation of Molecules Conditioned on Mass Spectra

10 citations · 18 across the 6 of their papers we have counts for

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cs.LG2024★ 6 cited

Batched Bayesian optimization by maximizing the probability of including the optimum

Jenna Fromer, Runzhong Wang, Mrunali Manjrekar +3

Batched Bayesian optimization (BO) can accelerate molecular design by efficiently identifying top-performing compounds from a large chemical library. Existing acquisition strategie…