Dataset · Hugging Face

maomlab/FSMol

Name: FSMol
Creator: maomlab
Keywords: task_categories:tabular-classification, language:en, size_categories:1M<n<10M, format:parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:mlcroissant, library:polars, region:us, molecular data, few-shot learning

FS-Mol FS-Mol is a dataset curated from ChEMBL27 for small molecule activity prediction. It consists of 5,120 distinct assays and includes a total of 233,786 unique compounds. This is a mirror of the Official Github repo where the dataset was uploaded in 2021. Preprocessing [Update 2025.08.16 Version 1.1.0] We removed invalid SMILES strings from the dataset, which could not be parsed by RDKit. Train split: removed 12470 strings from 5038727 strings Test split:… See the full description on the dataset page: https://huggingface.co/datasets/maomlab/FSMol.

View on Hugging FaceReport an issue

Author / organization	maomlab
Downloads	951 (as reported by Hugging Face)
Likes	0
Created	6 August 2025
Last updated at source	17 August 2025

molecular datafew-shot learning

Embed this entry

<iframe src="https://silytics.si/embed/item/49049f49-0e65-4c7a-bf44-57d2274588be" width="420" height="190" style="border:0" loading="lazy" title="Silytics entry"></iframe>

Free, no tracking. More about feeds and embeds.

Popularity, last 2 days

951 now (+560 since 2026-10-16). Counts as reported by the source, snapshotted daily by Silytics.

More from maomlab

Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 17 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.