@article{spiceadatasetofdruglikemoleculesand, title = {SPICE, A Dataset of Drug-like Molecules and Peptides for Training Machine Learning Potentials}, author = {Peter Eastman and Pavan Kumar Behara and David L. Dotson and Raimondas Galvelis and John E. Herr and Josh T. Horton and Yuezhi Mao and John D. Chodera and Benjamin P. Pritchard and Yuanqing Wang and Gianni de Fabritiis and Thomas E. Markland}, year = {2022}, eprint = {2209.10702}, archivePrefix = {arXiv}, url = {https://arxiv.org/abs/2209.10702v2}, }