MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks Paper • 2410.17270 • Published Mar 19, 2025
Packora: Systematic Design for Generative Molecular Crystal Structure Prediction Paper • 2608.26962 • Published 14 days ago
Machine Learning Hamiltonians are Accurate Energy-Force Predictors Paper • 2602.16897 • Published Feb 18
AtomMOF: All-Atom Flow Matching for MOF-Adsorbate Structure Prediction Paper • 2602.07351 • Published Feb 7
MOFFlow-2 Collection MOFFlow-2 model and data. Code: https://github.com/nayoung10/MOFFlow-2 Paper: https://arxiv.org/abs/2505.17914 • 3 items • Updated 9 days ago
AtomMOF Collection AtomMOF model and data. Code: https://github.com/nayoung10/AtomMOF Paper: https://arxiv.org/abs/2602.07351 • 3 items • Updated 9 days ago