DeepYoke/ToxiMol-benchmark
收藏Hugging Face2025-06-15 更新2025-11-01 收录
下载链接：
https://hf-mirror.com/datasets/DeepYoke/ToxiMol-benchmark
下载链接
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资源简介：
ToxiMol是一个针对分子毒性修复任务的全面基准数据集，适用于通用多模态大型语言模型（MLLMs）。它包含了跨越不同毒性机制和不同粒度的560个代表性有毒分子，基于Therapeutics Data Commons平台定义的11个主要毒性修复任务，以及多模态输入，包括SMILES字符串和2D分子结构图像。
ToxiMol is a comprehensive benchmark for molecular toxicity repair tailored to general-purpose Multimodal Large Language Models (MLLMs). It contains 560 representative toxic molecules spanning diverse toxicity mechanisms and varying granularities, 11 primary toxicity repair tasks based on the Therapeutics Data Commons platform, and multimodal inputs including SMILES strings and 2D molecular structure images.
提供机构：
DeepYoke
