683 citations · 697 across the 7 of their papers we have counts for
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stat.ME2023
The N-ary in the Coal Mine: Avoiding Mixture Model Failure with Proper Validation
Travis Maxfield, Joshua Hochuli, James Wellnitz +4
Modeling the properties of chemical mixtures is a difficult but important part of any modeling process intended to be applicable to the often messy and impure phenomena of everyday…
q-bio.QM2023★ 2 cited
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular Docking
Michael Brocidiacono, Konstantin I. Popov, David Ryan Koes +1
Molecular docking aims to predict the 3D pose of a small molecule in a protein binding site. Traditional docking methods predict ligand poses by minimizing a physics-inspired scori…