Franke, Malte

3 publications

ICLRW 2025 MatDock: Multi-Molecule Docking in Porous Materials with Flow Matching Malte Franke, Mingrou Xie, Akshay Subramanian, Juno Nam, Rafael Gomez-Bombarelli

NeurIPSW 2024 Deterministic Global Optimization for Sample-Efficient Molecular Design with Generative Machine Learning Jan G. Rittig, Malte Franke, Alexander Mitsos

NeurIPSW 2023 Holistic Chemical Evaluation Reveals Pitfalls in Reaction Prediction Models Victor Sabanza Gil, Andres M Bran, Malte Franke, Rémi Schlama, Jeremy S. Luterbacher, Philippe Schwaller