{"url":"/dataset/guacamol","name":"Guacamol","full_name":"Guacamol","description_markdown":"Benchmark for de novo molecular design","description_withheld":null,"homepage":"https://github.com/BenevolentAI/guacamol","introduced_date":"2018-11-22","introduced_date_note":null,"introduced_by":{"paper":"/paper/guacamol-benchmarking-models-for-de-novo","title":"GuacaMol: Benchmarking Models for De Novo Molecular Design","first_author":"Nathan Brown","url":null},"license":{"name":"MIT","url":"https://github.com/BenevolentAI/guacamol/blob/master/LICENSE"},"modalities":[{"name":"Biomedical","url":"/datasets/modality/biomedical"}],"tasks":[{"name":"Drug Discovery","url":"/task/drug-discovery","datasets_with_task":"/datasets/task/drug-discovery"},{"name":"Molecular Property Prediction","url":"/task/molecular-property-prediction","datasets_with_task":"/datasets/task/molecular-property-prediction"}],"languages":[{"name":"English","url":"/datasets/language/english"}],"variants":["MolOpt"],"data_loaders":[],"num_papers_in_archive":5,"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."}