Dataset · Hugging Face

liuganghuggingface/moldata-admet_ai

Name: moldata-admet_ai
Creator: liuganghuggingface
License: mit
Keywords: task_categories:tabular-classification, task_categories:tabular-regression, license:mit, size_categories:10K<n<100K, format:parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, region:us, chemistry, molecules, small-molecules

TDC ADMET multitask table (ADMET-AI recipe) The 41 TDC ADMET benchmark endpoints merged into one table, one row per molecule, following ADMET-AI's merge recipe; released with torch-molecule. Processed copy of admet_ai from the molecular datasets collection. Structures are canonicalized and validated; labels are never averaged or filled. Prefer the original source for citation. Where the data comes from Original data:… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-admet_ai.

View on Hugging FaceReport an issue

Author / organization	liuganghuggingface
License (as declared)	mit
Downloads	0 (as reported by Hugging Face)
Likes	0
Created	21 October 2026
Last updated at source	21 October 2026

chemistrymoleculessmall-moleculesadmeadmetexperimentmultitasktdc-derived

Embed this entry

<iframe src="https://silytics.si/embed/item/4da146d7-7387-4e1c-bac0-71c226eca8e6" width="420" height="190" style="border:0" loading="lazy" title="Silytics entry"></iframe>

Free, no tracking. More about feeds and embeds.

More from liuganghuggingface

liuganghuggingface/polyconfDataset
liuganghuggingface/demodiff_downstreamDataset
liuganghuggingface/moltextnetDataset
liuganghuggingface/polymer_semantic_pdfsDataset
liuganghuggingface/moldata-polyverse_solvent_diffusionDataset
liuganghuggingface/moldata-simpoly_experimentDataset

Silytics shows public metadata from Hugging Face and links to the original. Information may be incomplete or out of date. Last refreshed 21 October 2026. Licenses and terms of the original apply to the work itself. Not financial, legal or professional advice.