The tmQM data set explores transition metal-organic compound space including Werner, bioinorganic and organometallic complexes with their respective QM properties based on Cambridge structural database, enabling wide coverage of organometallic space. There are in total 86,665 complexes with 3d, 4d, and 5d transition metals from groups 3 to 12. Lately, 60k graph data set (tmQMg) and a 30k ligand library (tmQMg-L) are constructed with NBO analysis on tmQM dataset. tmQM offers Cartesian coordinates optimized at the GFN2-xTB level, along with quantum properties computed at the DFT (TPSSh-D3BJ/def2-SVP) level. These properties include electronic and dispersion energies, metal center natural charge, HOMO/LUMO energies and gaps, dipole moments, and polarizabilities calculated at the GFN2-xTB level.