StoL25:

The StoL25 dataset consists of 200 molecules containing 16-25 heavy atoms (C, N, O, and F) selected from the ChEMBL database. For each molecule, conformations were generated using RDKit and the StoL framework, followed by B3LYP/6-31G*/BJD3 DFT optimization. In total, the dataset includes several optimized conformations each molecule, providing diverse and reliable molecular structures for evaluating conformation generation methods.