Orbital-Materials/MofasaDB

MofasaDB The MofasaDB is a publicly available dataset containing 200.000+ de novo generated MOF (Metal-Organic Framework) structures from Mofasa trained on QMOF (up to 170 atoms), along with their geometry-relaxed counterparts. The database is released alongside the paper Mofasa: A Step Change in Metal-Organic Framework Generation. A user-friendly web interface for search and discovery can be accessed at https://mofux.ai/. Database Overview The database contains… See the full description on the dataset page: https://huggingface.co/datasets/Orbital-Materials/MofasaDB.