{"url":"/dataset/moleculecla","name":"MoleculeCLA","full_name":null,"description_markdown":"We present MoleculeCLA: a large-scale dataset consisting of approximately 140,000 small molecules derived from computational ligand-target binding analysis, providing nine properties that cover chemical, physical, and biological aspects.","description_withheld":null,"homepage":"https://huggingface.co/datasets/shikun001/MoleculeCLA","introduced_date":"2024-06-13","introduced_date_note":null,"introduced_by":{"paper":"/paper/moleculecla-rethinking-molecular-benchmark","title":"MoleculeCLA: Rethinking Molecular Benchmark via Computational Ligand-Target Binding Analysis","first_author":"Shikun Feng","url":null},"license":{"name":"MIT","url":null},"modalities":[],"tasks":[],"languages":[{"name":"English","url":"/datasets/language/english"}],"variants":["MoleculeCLA"],"data_loaders":[],"num_papers_in_archive":1,"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."}