6 citations · 14 across the 5 of their papers we have counts for
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cs.LG2024★ 3 cited
FlowDock: Geometric Flow Matching for Generative Protein-Ligand Docking and Affinity Prediction
Alex Morehead, Jianlin Cheng
Powerful generative AI models of protein-ligand structure have recently been proposed, but few of these methods support both flexible protein-ligand docking and affinity estimation…
cs.LG2024★ 6 cited
Evaluating representation learning on the protein structure universe
Arian R. Jamasb, Alex Morehead, Chaitanya K. Joshi +8
We introduce ProteinWorkshop, a comprehensive benchmark suite for representation learning on protein structures with Geometric Graph Neural Networks. We consider large-scale pre-tr…