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cs.LG2025
Matcha: Multi-Stage Riemannian Flow Matching for Accurate and Physically Valid Molecular Docking
Daria Frolova, Talgat Daulbaev, Egor Sevriugov +4
Predicting a protein--ligand binding pose is central to structure-based drug design, yet current docking methods still struggle to combine speed, accuracy and physical plausibility…
cs.LG2024
Explicit Flow Matching: On The Theory of Flow Matching Algorithms with Applications
Gleb Ryzhakov, Svetlana Pavlova, Egor Sevriugov +1
This paper proposes a novel method, Explicit Flow Matching (ExFM), for training and analyzing flow-based generative models. ExFM leverages a theoretically grounded loss function, E…