3 citations · 3 across the 1 of their papers we have counts for
2 papers
cs.LG2026★ 3 cited
CrystalBoltz: End-to-End Protein Structure Determination via Experiment-Guided Diffusion for X-Ray Crystallography
Minseo Kim, Huanghao Mai, Jay Shenoy +3
Generative models trained on public databases of protein structures, most of which have been determined by X-ray crystallography, now provide powerful priors for structure predicti…
cs.LG2018
PotentialNet for Molecular Property Prediction
Evan N. Feinberg, Debnil Sur, Zhenqin Wu +7
The arc of drug discovery entails a multiparameter optimization problem spanning vast length scales. They key parameters range from solubility (angstroms) to protein-ligand binding…