Datasets:

DeepYoke
/

ToxiMol-benchmark

Tasks:

Tabular Classification

Tabular Regression

Modalities:

Formats:

Sub-tasks:

multi-class-classification

tabular-single-column-regression

Languages:

Size:

ArXiv:

Tags:

molecular-design

Libraries:

License:

Dataset card Data Studio Files Files and versions

Cusyoung commited on Jun 13, 2025

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 # ToxiMol: A Benchmark for Structure-Level Molecular Detoxification
-[![arXiv](https://img.shields.io/badge/arXiv-Coming%20Soon-red.svg)](https://arxiv.org)
 [![Dataset](https://img.shields.io/badge/🤗%20Hugging%20Face-ToxiMol-blue)](https://huggingface.co/datasets/DeepYoke/ToxiMol-benchmark)
 ## Overview

 # ToxiMol: A Benchmark for Structure-Level Molecular Detoxification
+[![arXiv](https://img.shields.io/badge/arXiv-paper-red.svg)](https://arxiv.org/pdf/2506.10912)
 [![Dataset](https://img.shields.io/badge/🤗%20Hugging%20Face-ToxiMol-blue)](https://huggingface.co/datasets/DeepYoke/ToxiMol-benchmark)
 ## Overview