pytdc
PyTDC
Therapeutics Data Commons. AI-ready drug discovery datasets (ADME, toxicity, DTI), benchmarks, scaffold splits, molecular oracles, for therapeutic ML and pharmacological prediction.
这页展示的是上游仓库条目，不代表已进入 SCI Skills 精选目录。
- 原始路径
- scientific-skills/pytdc
- 允许工具
- -
- 仓库版本
- 2.31.0
- 同步时间
- 2026年3月27日
条目说明
条目说明
PyTDC is an open-science platform providing AI-ready datasets and benchmarks for drug discovery and development. Access curated datasets spanning the entire therapeutics pipeline with standardized evaluation metrics and meaningful data splits, organized into three categories: single-instance prediction (molecular/protein properties), multi-instance prediction (drug-target interactions, DDI), and generation (molecule
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