Oct 2025
Flowr.root – A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
Flowr.root achieves state-of-the-art performance in both unconditional 3D molecule and pocket-conditional ligand generation, producing geometrically realistic, low-strain structures with computational efficiency on established benchmark datasets.
Julian Cremer, Tuan Le, M. Ghahremanpour et al.
· arXiv.org · 5 citations
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