Post by Sam Blau on X
Sam Blau@SamMBlau
XThe Open Molecules 2025 dataset is out! With >100M gold-standard ωB97M-V/def2-TZVPD calcs of biomolecules, electrolytes, metal complexes, and small molecules, OMol is by far the largest, most diverse, and highest quality molecular DFT dataset for training MLIPs ever made 1/N

422 likes4 repliesPosted May 14, 2025