introvoyz041/

qmof_project

Pre-processed datasets for training graph neural networks on Metal-Organic Framework (MOF) property prediction. Covers five source databases — QMOF, ODAC23, hMOF, CoREMOF, and MOSAEC — prepared for three model architectures: CGCNN, MGT, and PMT. Each database is available in up to three forms depending on coverage:

data/cif_plus_idprop/ — CIF structures bundled with id_prop.csv target files, ready for direct CGCNN/MGT input data/lmdb/ — pre-computed… See the full description on the dataset page: https://huggingface.co/datasets/introvoyz041/qmof_project.