{"url":"/dataset/md17","name":"MD17","full_name":"Molecular Dynamics 17","description_markdown":"Energies and forces for molecular dynamics trajectories of eight organic molecules. Level of theory DFT: PBE+vdW-TS.","description_withheld":null,"homepage":"http://quantum-machine.org/gdml/#datasets","introduced_date":"2017-05-05","introduced_date_note":null,"introduced_by":{"paper":"/paper/machine-learning-of-accurate-energy","title":"Machine Learning of Accurate Energy-conserving Molecular Force Fields","first_author":"Chmiela","url":null},"license":null,"modalities":[],"tasks":[{"name":"Formation Energy","url":"/task/formation-energy","datasets_with_task":"/datasets/task/formation-energy"}],"languages":[],"variants":["MD17"],"data_loaders":[],"num_papers_in_archive":105,"source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28"},"benchmarks":[],"papers_with_a_benchmark_row":[],"syntology_totals":{"read_at":"2026-09-24T18:15:14+00:00","papers_with_samples":0,"samples_harvested":0,"samples_ran":0,"samples_unverified":0,"pointer_only_for_licence":0,"papers_with_no_sample_that_ran":0,"note":"the per-paper counts above, summed; not a rate"},"papers_note":"The archive never published its papers-using-dataset list; these are papers with a leaderboard row on this dataset's benchmarks."}