This research uncovers distribution shifts in machine learning force fields, suggesting improved accuracy in quantum mechanical simulations.
Machine Learning Force Fields (MLFFs) are a promising alternative to expensive ab initio quantum mechanical molecular simulations. Given the diversity of chemical spaces that are of interest and the cost...
No takes yet. Share an insight, caveat, or question.
Kreiman et al. (2025) studied this question.
Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context: